SCHEMBL16458596

SCHEMBL16458596

CCC(=O)C(Cc1ccc(-c2ccccc2C#N)nc1)C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
PRKDC P78527 1/20 0.36
ATM Q13315 1/20 0.36
ATR Q13535 1/20 0.36
BRS3 P32247 1/20 0.36
PTPN1 P18031 1/20 0.35
WNT3A P56704 2/20 0.35
EGLN1 Q9GZT9 1/20 0.35
POLQ O75417 1/20 0.35
MME P08473 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FFAR1 O14842 1/20 0.34
AKR1B1 P15121 1/20 0.34
ECE1 P42892 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL16457755 0.92 PRKDC (0.37) PPARGPPARDPPARAPRKDCATM
SCHEMBL1370921 0.90 TSHR (0.39) PPARGPPARDPPARAPRKDCATM
SCHEMBL15418062 0.89 TSHR (0.36) PPARGPPARDPPARAPRKDCATM
SCHEMBL15418015 0.89 BRS3 (0.40) PRKDCATMATRBRS3PTPN1
SCHEMBL1374077 0.84 MAPT (0.39) PRKDCATMATRBRS3WNT3A
SCHEMBL15418090 0.81 PRKDC (0.39) PRKDCATMATRBRS3PTPN1
SCHEMBL11897519 0.79 TSHR (0.40) PRKDCATMATRBRS3PTPN1
SCHEMBL15418005 0.78 FAAH (0.40) PRKDCATMATRBRS3MME
SCHEMBL27948271 0.78 ANPEP (0.36) PRKDCATMATRBRS3PTPN1
SCHEMBL1891097 0.75 MME (0.50) PPARGPPARDPPARAPTPN1EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315493-B2 Phenylpyridine derivative and drug containing same KOWA COMPANY, LTD. (JP) 2016-04-19 US disclosed
US-20140011823-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND DRUG CONTAINING SAME KOWA COMPANY, LTD. (JP) 2014-01-09 US disclosed
CN-103459380-A Novel phenylpyridine derivative and medicine containing the same KOWA CO 2013-12-18 CN 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-20140011823-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND DRUG CONTAINING SAME AGTR2, AGTR1, PPARD PPARG 4/4885PPARD 3/4885PPARA 7/4885

“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.