SCHEMBL15418015

SCHEMBL15418015

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.40
PRKDC P78527 1/20 0.38
ATM Q13315 1/20 0.38
ATR Q13535 1/20 0.38
PTPN1 P18031 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
WNT3A P56704 2/20 0.37
MME P08473 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
FFAR1 O14842 1/20 0.36
AKR1B1 P15121 1/20 0.36
FAAH O00519 1/20 0.36
CTSA P10619 3/20 0.36
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
GRM2 Q14416 1/20 0.35
S1PR1 P21453 1/20 0.35
PDCD1 Q15116 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
SCHEMBL15418090 0.91 PRKDC (0.39) BRS3PRKDCATMATRPTPN1
SCHEMBL16458596 0.89 PPARG (0.36) BRS3PRKDCATMATRPTPN1
SCHEMBL11897519 0.89 TSHR (0.40) BRS3PRKDCATMATRPTPN1
SCHEMBL15418005 0.88 FAAH (0.40) BRS3PRKDCATMATRMME
SCHEMBL8445937 0.82 MME (0.53) BRS3PTPN1EGLN1MMEITGB1
SCHEMBL16457755 0.81 PRKDC (0.37) BRS3PRKDCATMATRPTPN1
SCHEMBL1374077 0.81 MAPT (0.39) BRS3PRKDCATMATREGLN1
SCHEMBL1370921 0.79 TSHR (0.39) BRS3PRKDCATMATRPTPN1
SCHEMBL15418062 0.79 TSHR (0.36) BRS3PRKDCATMATRPTPN1
SCHEMBL16458129 0.76 ATR (0.39) BRS3PRKDCATMATREGLN1

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 4 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
EP-2687523-B1 NOVEL PHENYLPYRIDINE DERIVATIVE AND DRUG CONTAINING SAME KOWA CO (JP) 2016-01-06 EP disclosed
EP-2687523-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND DRUG CONTAINING SAME Kowa Company Ltd. (JP) 2014-01-22 EP disclosed
US-20140011823-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND DRUG CONTAINING SAME KOWA COMPANY, LTD. (JP) 2014-01-09 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 (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 BRS3 1335/4885PRKDC 3827/4885ATM 2560/4885

“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.