SCHEMBL342186

SCHEMBL342186

O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2/C1=N/Nc1ccc(S(=O)(=O)[O-])c2ccccc12.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.35

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 20)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 1/20 0.34
P2RY12 known ✓ Q9H244 1/20 0.31
LMNA P02545 4/20 0.33
POLB P06746 4/20 0.33
MAPT P10636 4/20 0.33
PKM P14618 4/20 0.33
NFKB1 P19838 4/20 0.33
APEX1 P27695 4/20 0.33
RECQL P46063 4/20 0.33
P2RX1 P51575 4/20 0.33
BLM P54132 4/20 0.33
KMT2A Q03164 4/20 0.33
HSD17B10 Q99714 4/20 0.33
TDP1 Q9NUW8 4/20 0.33
CYP3A4 P08684 3/20 0.33
TSHR P16473 3/20 0.33
P2RX3 P56373 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
STAT1 P42224 3/20 0.33

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
SCHEMBL1921217 0.87 THRB (0.34) THRBLMNAPOLBMAPTPKM
SCHEMBL29869308 0.87 THRB (0.34) THRBLMNAPOLBMAPTPKM
SCHEMBL31679136 0.84 THRB (0.34) THRBLMNAPOLBMAPTPKM
SCHEMBL340899 0.84 THRB (0.34) THRBLMNAPOLBMAPTPKM
SCHEMBL28997618 0.78 THRB (0.35) THRBAPEX1RECQLBLMKMT2A
SCHEMBL2866129 0.73 RECQL (0.34) LMNAPOLBMAPTRECQLKMT2A
SCHEMBL28346763 0.72 ALDH1A1 (0.32) THRBLMNAPOLBMAPTPKM
SCHEMBL342870 0.70 PTPN1 (0.46) THRBPOLBBLMKMT2AENTPD1
SCHEMBL14739104 0.70 MEN1 (0.36) THRBKMT2ATDP1ALDH1A1MEN1
SCHEMBL15115352 0.70 MEN1 (0.36) THRBKMT2ATDP1ALDH1A1MEN1

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 18 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
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-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-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 THRB 3510/4885P2RY12 4611/4885LMNA 2081/4885
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 THRB 972/4885P2RY12 486/4885LMNA 2735/4885
US-20110033400-A1 SUNSCREEN COMPOSITIONS COMPRISING COLOUR PIGMENTS TYR, ERCC1, ERCC4 THRB 4299/4885P2RY12 3766/4885LMNA 1492/4885
US-20120017931-A1 HAIR DYEING COMPOSITION CYB5R3, CYC1, CYCS THRB 2777/4885P2RY12 4644/4885LMNA 1233/4885
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 THRB 972/4885P2RY12 486/4885LMNA 2735/4885
US-20170231889-A1 Sunscreen Compositions Comprising Colour Pigments TYR, ERCC1, ERCC4 THRB 4299/4885P2RY12 3766/4885LMNA 1492/4885
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 THRB 972/4885P2RY12 486/4885LMNA 2735/4885
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 THRB 972/4885P2RY12 486/4885LMNA 2735/4885

“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.