SCHEMBL17593249

SCHEMBL17593249

Cc1ccc(S(=O)(=O)OCC(O)CCc2ccc(Br)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 2/20 0.39
CYP24A1 Q07973 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL17593246 1.00 EGFR (0.43) EGFRERBB2CYP2C9CYP1A2KDM4E
SCHEMBL17593248 1.00 EGFR (0.43) EGFRERBB2CYP2C9CYP1A2KDM4E
SCHEMBL19321714 0.93 ALDH1A1 (0.42) KMT2ACYP24A1ALDH1A1MEN1ADRB2
SCHEMBL2076249 0.87 ALDH1A1 (0.51) CYP1A2POLBALDH1A1LMNACYP3A4
SCHEMBL2076248 0.87 ALDH1A1 (0.51) CYP1A2POLBALDH1A1LMNACYP3A4
SCHEMBL2076247 0.87 ALDH1A1 (0.51) CYP1A2POLBALDH1A1LMNACYP3A4
SCHEMBL140992 0.80 STAT3 (0.46) CYP2C9KMT2AALDH1A1MEN1CYP3A4
SCHEMBL4921650 0.79 STAT3 (0.41) CYP1A2ALDH1A1CYP2D6CYP2C19DHODH
SCHEMBL4921663 0.79 STAT3 (0.41) CYP1A2ALDH1A1CYP2D6CYP2C19DHODH
SCHEMBL828951 0.79 EGFR (0.47) EGFRERBB2CYP2C9CYP1A2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191453-B1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-10-23 EP disclosed
US-10336684-B2 Phenyl-(aza)cycloalkyl carboxylic acid GPR120 modulators BRISTOL=MYERS SQUIBB COMPANY (US) 2019-07-02 US disclosed
US-20180319737-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-11-08 US disclosed
US-20170327457-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-11-16 US disclosed
EP-3191453-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS Bristol-Myers Squibb Company (US) 2017-07-19 EP disclosed
WO-2016040225-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-17 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 (3 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-20170327457-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS GPR88, GPR55, GPR180 EGFR 706/4885ERBB2 704/4885CYP2C9 1854/4885
US-20180319737-A1 PHENYL-(AZA)CYCLOALKYL CARBOXYLIC ACID GPR120 MODULATORS GPR88, GPR55, GPR180 EGFR 706/4885ERBB2 704/4885CYP2C9 1854/4885
US-10336684-B2 Phenyl-(aza)cycloalkyl carboxylic acid GPR120 modulators GPR88, GPR55, GPR180 EGFR 706/4885ERBB2 704/4885CYP2C9 1854/4885

“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.