SCHEMBL5197872

SCHEMBL5197872

Cc1cccc(-c2[nH]c(C(C)C)nc2-c2ccc(F)c(-c3ccc(S(N)(=O)=O)cc3)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 9/20 0.43
PTGS2 P35354 6/20 0.40
PTGS1 P23219 3/20 0.39
GABRA2 P47869 1/20 0.39
LRRK2 Q5S007 1/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK14 Q16539 1/20 0.39
SCD O00767 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MTOR P42345 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
SCHEMBL5199625 0.91 TGFBR1 (0.43) TGFBR1CYP3A4MAPK14CYP1A2CYP2D6
SCHEMBL5199945 0.91 TGFBR1 (0.43) TGFBR1PTGS2PTGS1CYP3A4MAPK14
SCHEMBL5199629 0.86 LRRK2 (0.42) TGFBR1PTGS2LRRK2CYP3A4MAPK14
SCHEMBL5199327 0.85 TGFBR1 (0.48) TGFBR1CYP3A4MAPK14CYP1A2CYP2D6
SCHEMBL5200386 0.85 TGFBR1 (0.42) TGFBR1CYP3A4MAPK14CYP1A2CYP2D6
SCHEMBL5200669 0.84 TGFBR1 (0.51) TGFBR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL5199594 0.84 TGFBR1 (0.42) TGFBR1PTGS2CYP3A4MAPK14SCD
SCHEMBL5198077 0.83 TGFBR1 (0.46) TGFBR1CYP3A4MAPK14CYP1A2CYP2D6
SCHEMBL5200486 0.82 TGFBR1 (0.43) TGFBR1CYP3A4MAPK14CYP1A2CYP2D6
SCHEMBL5198218 0.82 LRRK2 (0.45) TGFBR1LRRK2MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 US disclosed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 EP 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 (1 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-20070275968-A1 Substituted Biphenyl Derivative COL2A1, COL1A1, FGFR3 TGFBR1 40/4885PTGS2 2062/4885PTGS1 1855/4885

“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.