SCHEMBL342135

SCHEMBL342135

O=C1C=Cc2cc(S(=O)(=O)[O-])ccc2/C1=N\Nc1cccc(S(=O)(=O)[O-])c1.[Na+].[Na+]

nearest known ligand 0.36

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY2 known ✓ P41231 1/20 0.31
P2RY4 known ✓ P51582 1/20 0.31
P2RY6 known ✓ Q15077 1/20 0.31
P2RY12 known ✓ Q9H244 1/20 0.31
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
VCP P55072 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P2RY13 Q9BPV8 1/20 0.31
DEPTOR Q8TB45 1/20 0.30
HTT P42858 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2865909 0.91 HTT (0.39) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL340828 0.89 EIF2AK2 (0.35) MAPTALDH1A1L3MBTL1P2RY12
SCHEMBL21055662 0.79 ALDH1A1 (0.41) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL22031597 0.78 MEN1 (0.39) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL30100332 0.77 MEN1 (0.38) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL2864397 0.77 MEN1 (0.38) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL21436238 0.76 ALDH1A1 (0.41) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL21436655 0.76 ALDH1A1 (0.41) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL5344218 0.76 MEN1 (0.37) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL5344213 0.76 MEN1 (0.37) MAPTMEN1KMT2AALDH1A1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2710996-B1 Sunscreen compositions comprising colour pigments BASF SE (DE) 2022-08-17 EP disclosed
US-11384033-B2 Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants BASF SE (DE) 2022-07-12 US disclosed
CN-107108388-B Composition comprising (thio) phosphoric triamide and other compounds such as amines and colorants with improved urease-inhibiting effect 巴斯夫欧洲公司 2021-02-26 CN disclosed
CN-112374933-A Composition comprising (thio) phosphoric triamide and other compounds such as amines and colorants with improved urease-inhibiting effect 巴斯夫欧洲公司 2021-02-19 CN disclosed
EP-3763692-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO) PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS BASF SE (DE) 2021-01-13 EP disclosed
EP-3763691-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO)PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS BASF SE (DE) 2021-01-13 EP disclosed
EP-3725756-A2 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING AMINES, OR COLORANTS, AND AN ADDUCT OF THE THREE COMPOUNDS N-(N-BUTYL) THIOPHOSPHORIC ACID TRIAMIDE (NBPT), UREA, AND FORMALDEHYDE BASF SE (DE) 2020-10-21 EP disclosed
US-20200157018-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO)PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS BASF SE (DE) 2020-05-21 US disclosed
US-10577290-B2 Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants BASF SE (DE) 2020-03-03 US disclosed
EP-3459520-A1 HAIR DYEING COMPOSITION BASF SE (DE) 2019-03-27 EP disclosed
US-20170369385-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO)PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS BASF SE (DE) 2017-12-28 US disclosed
EP-3237360-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO) PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS BASF SE (DE) 2017-11-01 EP disclosed
US-20170231889-A1 Sunscreen Compositions Comprising Colour Pigments BASF SE (DE) 2017-08-17 US disclosed
WO-2016103168-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO) PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS BASF SE (DE) 2016-06-30 WO disclosed
EP-2710996-A2 Sunscreen compositions comprising colour pigments BASF SE (DE) 2014-03-26 EP disclosed
US-8268014-B2 Hair dyeing composition BASF SE Ludwigshafen (DE) 2012-09-18 US disclosed
US-8257448-B2 Hair dyeing composition BASF SE (DE) 2012-09-04 US disclosed
US-20120017931-A1 HAIR DYEING COMPOSITION BASF SE (DE) 2012-01-26 US disclosed
US-20120012128-A1 HAIR DYEING COMPOSITION BASF SE (DE) 2012-01-19 US disclosed
US-20110033400-A1 SUNSCREEN COMPOSITIONS COMPRISING COLOUR PIGMENTS BASF SE (US) 2011-02-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120012128-A1 HAIR DYEING COMPOSITION CYC1, CYB5R3, TYR P2RY2 3991/4885P2RY4 3823/4885P2RY6 4397/4885
US-20200157018-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO)PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS SLC14A1, XDH, PNP P2RY2 539/4885P2RY4 1162/4885P2RY6 408/4885
US-20110033400-A1 SUNSCREEN COMPOSITIONS COMPRISING COLOUR PIGMENTS TYR, ERCC1, ERCC4 P2RY2 2981/4885P2RY4 3656/4885P2RY6 3926/4885
US-20120017931-A1 HAIR DYEING COMPOSITION CYB5R3, CYC1, CYCS P2RY2 3460/4885P2RY4 3539/4885P2RY6 4063/4885
US-11384033-B2 Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants SLC14A1, XDH, PNP P2RY2 539/4885P2RY4 1162/4885P2RY6 408/4885
US-20170231889-A1 Sunscreen Compositions Comprising Colour Pigments TYR, ERCC1, ERCC4 P2RY2 2981/4885P2RY4 3656/4885P2RY6 3926/4885
US-20170369385-A1 COMPOSITIONS WITH IMPROVED UREASE-INHIBITING EFFECT COMPRISING (THIO)PHOSPHORIC ACID TRIAMIDE AND FURTHER COMPOUNDS SUCH AS AMINES AND COLORANTS SLC14A1, XDH, PNP P2RY2 539/4885P2RY4 1162/4885P2RY6 408/4885
US-10577290-B2 Compositions with improved urease-inhibiting effect comprising (thio)phosphoric acid triamide and further compounds such as amines and colorants SLC14A1, XDH, PNP P2RY2 539/4885P2RY4 1162/4885P2RY6 408/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.