SCHEMBL12245352

SCHEMBL12245352

Cc1c(Br)ccc(Cl)c1CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.53
CXCL8 P10145 3/20 0.38
CLIC1 O00299 1/20 0.38
CLCN2 P51788 1/20 0.38
THRB P10828 2/20 0.37
PTGS2 P35354 3/20 0.36
CA2 P00918 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
MCL1 Q07820 1/20 0.36
THRA P10827 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35

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
SCHEMBL1004496 0.81 CYP1A2 (0.45) AKR1B1CXCL8CLIC1CLCN2THRB
SCHEMBL28725005 0.81 AKR1B1 (0.57) AKR1B1CXCL8CLIC1CLCN2PTGS2
SCHEMBL2239127 0.81 AKR1B1 (0.57) AKR1B1CXCL8CLIC1CLCN2THRB
SCHEMBL31514224 0.81 SMN1; SMN2 (0.40) PTGS2ALDH1A1GAAKDM4EMAPT
SCHEMBL12245353 0.75 AKR1B1 (0.44) AKR1B1CXCL8CLIC1CLCN2THRB
SCHEMBL29933615 0.74 AKR1B1 (0.74) AKR1B1CXCL8PTGS2GAACYP3A4
SCHEMBL1003898 0.74 AKR1B1 (0.52) AKR1B1CXCL8CLIC1CLCN2PTGS2
SCHEMBL18301686 0.74 AKR1B1 (0.57) AKR1B1CXCL8CLIC1CLCN2PTGS2
SCHEMBL17410055 0.74 AKR1B1 (0.74) AKR1B1CXCL8PTGS2GAACYP3A4
SCHEMBL4560886 0.73 CYP1A2 (0.56) AKR1B1PTGS2ALDH1A1GAACYP1A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180338980-A1 AROMATIC SULFONAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-29 US disclosed
EP-3307715-A1 AROMATIC SULFONAMIDE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2018-04-18 EP disclosed
WO-2016198374-A1 AROMATIC SULFONAMIDE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-15 WO disclosed
US-8901038-B2 Biphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2014-12-02 US disclosed
US-8901038-B2 Biphenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2014-12-02 US disclosed
US-20110230346-A1 Biphenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-09-22 US disclosed
US-20110230346-A1 Biphenyl-Substituted Cyclic Ketoenols BAYER CROPSCIENCE AG (DE) 2011-09-22 US disclosed
WO-2011098440-A2 BIPHENYL SUBSTITUTED CYCLICAL KETO-ENOLS BAYER CROPSCIENCE AG (DE) 2011-08-18 WO 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 (2 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-20180338980-A1 AROMATIC SULFONAMIDE DERIVATIVES ARSA, SULT2A1, TPST2 AKR1B1 859/4885CXCL8 1933/4885CLIC1 3685/4885
US-20110230346-A1 Biphenyl-Substituted Cyclic Ketoenols KCNE1, KDM4E, PIKFYVE AKR1B1 116/4885CXCL8 4301/4885CLIC1 2840/4885

“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.