SCHEMBL341460

SCHEMBL341460

O=C1C=Cc2ccccc2/C1=N\Nc1cc(C(=O)[O-])c(Cl)cc1S(=O)(=O)[O-].O=C1C=Cc2ccccc2/C1=N\Nc1cc(C(=O)[O-])c(Cl)cc1S(=O)(=O)[O-].[Ca+2].[Na+].[Na+]

nearest known ligand 0.35

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
P2RY12 Q9H244 5/20 0.35
P2RY4 P51582 4/20 0.33
MEN1 O00255 3/20 0.32
POLB P06746 3/20 0.32
KMT2A Q03164 3/20 0.32
PLA2G1B P04054 1/20 0.32
GAA P10253 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
PKLR P30613 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
BCHE P06276 1/20 0.31
PTPRC P08575 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
IDO1 P14902 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL21436270 0.88 P2RY4 (0.37) P2RY12P2RY4MEN1POLBKMT2A
SCHEMBL4104253 0.84 P2RY4 (0.40) P2RY12P2RY4MEN1POLBKMT2A
SCHEMBL21436640 0.82 P2RY4 (0.37) P2RY12P2RY4MEN1POLBKMT2A
SCHEMBL21436543 0.82 P2RY4 (0.40) P2RY12P2RY4MEN1POLBKMT2A
SCHEMBL4101684 0.82 P2RY4 (0.38) P2RY12P2RY4MEN1POLBKMT2A
SCHEMBL10052604 0.81 MEN1 (0.42) P2RY12P2RY4MEN1POLBKMT2A
SCHEMBL21436647 0.77 P2RY4 (0.41) P2RY12P2RY4MEN1POLBKMT2A
SCHEMBL342250 0.76 THRB (0.37) P2RY12P2RY4MEN1POLBKMT2A
SCHEMBL5410698 0.74 P2RY4 (0.35) P2RY12P2RY4MEN1POLBKMT2A
SCHEMBL21436337 0.74 P2RY4 (0.37) P2RY12P2RY4MEN1POLBKMT2A

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3086762-B1 ORAL CARE COMPOSITIONS WITH REDUCED SURFACE STAINING COLGATE PALMOLIVE CO (US) 2019-08-28 EP claimed
CN-105828785-B The oral care composition of surface contamination with reduction 高露洁-棕榄公司 2019-05-03 CN claimed
US-20160324753-A1 ORAL CARE COMPOSITIONS WITH REDUCED SURFACE STAINING COLGATE-PALMOLIVE COMPANY (US) 2016-11-10 US claimed
EP-3086762-A1 ORAL CARE COMPOSITIONS WITH REDUCED SURFACE STAINING Colgate-Palmolive Company (US) 2016-11-02 EP claimed
WO-2015100010-A1 ORAL CARE COMPOSITIONS WITH REDUCED SURFACE STAINING COLGATE-PALMOLIVE COMPANY (US) 2015-07-02 WO claimed
EP-3691751-B1 DUAL POLYMER COMPONENT HAIR COLORING COMPOSITION WELLA OPERATIONS US LLC (US) 2024-02-14 EP disclosed
US-20230310300-A1 HAIR COLOURING COMPOSITIONS COMPRISING A BIO-BASED POLYMER AND A CROSSLINKER HFC PRESTIGE SERVICE GERMINY GMBH (DE) 2023-10-05 US disclosed
EP-4171500-A1 HAIR COLOURING COMPOSITIONS COMPRISING A BIO-BASED POLYMER AND A CROSSLINKER Wella Germany GmbH (DE) 2023-05-03 EP disclosed
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
US-11324688-B2 Bicomponent composition WELLA INTERNATIONAL OPERATIONS SWI (CH) 2022-05-10 US disclosed
US-20220054392-A1 MULTICOMPONENT IN SITU COLORATION COMPOSITION WELLA INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2022-02-24 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
WO-2015100010-A1 ORAL CARE COMPOSITIONS WITH REDUCED SURFACE STAINING COLGATE-PALMOLIVE COMPANY (US) 2015-07-02 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 (7 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 P2RY12 4611/4885P2RY4 3823/4885MEN1 1913/4885
US-20110033400-A1 SUNSCREEN COMPOSITIONS COMPRISING COLOUR PIGMENTS TYR, ERCC1, ERCC4 P2RY12 3766/4885P2RY4 3656/4885MEN1 1447/4885
US-20230310300-A1 HAIR COLOURING COMPOSITIONS COMPRISING A BIO-BASED POLYMER AND A CROSSLINKER KRT18, MKI67, IK P2RY12 4452/4885P2RY4 4027/4885MEN1 811/4885
US-20120017931-A1 HAIR DYEING COMPOSITION CYB5R3, CYC1, CYCS P2RY12 4644/4885P2RY4 3539/4885MEN1 2016/4885
US-20220054392-A1 MULTICOMPONENT IN SITU COLORATION COMPOSITION KRT18, PRKDC, VIM P2RY12 4739/4885P2RY4 4672/4885MEN1 1309/4885
US-11324688-B2 Bicomponent composition KRT18, EXOSC10, EXOSC9 P2RY12 3317/4885P2RY4 3269/4885MEN1 1869/4885
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 P2RY12 486/4885P2RY4 1162/4885MEN1 4263/4885

“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.