SCHEMBL9947916

SCHEMBL9947916

CCCC/C(NC(=O)CC)=C(\Cc1ccc(-c2ccccc2C#N)nc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
WNT3A P56704 2/20 0.37
MME P08473 1/20 0.35
FAAH O00519 1/20 0.35
LTB4R2 Q9NPC1 2/20 0.34
PRKDC P78527 1/20 0.34
ATM Q13315 1/20 0.34
ATR Q13535 1/20 0.34
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
RORC P51449 2/20 0.33
FFAR1 O14842 1/20 0.33
AKR1B1 P15121 1/20 0.33
CTSA P10619 1/20 0.33
BRS3 P32247 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
PARP14 Q460N5 1/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL9947919 1.00 TSHR (0.40) TSHRWNT3AMMEFAAHLTB4R2
SCHEMBL9947923 1.00 TSHR (0.40) TSHRWNT3AMMEFAAHLTB4R2
SCHEMBL9947939 0.92 TSHR (0.38) TSHRWNT3AMMEFAAHLTB4R2
SCHEMBL9947942 0.92 TSHR (0.38) TSHRWNT3AMMEFAAHLTB4R2
SCHEMBL9947933 0.92 TSHR (0.38) TSHRWNT3AMMEFAAHLTB4R2
SCHEMBL15869622 0.91 TSHR (0.39) TSHRWNT3AMMEFAAHLTB4R2
SCHEMBL15869621 0.91 TSHR (0.39) TSHRWNT3AMMEFAAHLTB4R2
SCHEMBL9948776 0.89 TSHR (0.36) TSHRWNT3AMMEFAAHLTB4R2
SCHEMBL9948774 0.89 TSHR (0.36) TSHRWNT3AMMEFAAHLTB4R2
SCHEMBL15869687 0.83 TSHR (0.37) TSHRWNT3AFAAHPRKDCATM

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 5 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-2484675-B1 NOVEL PHENYLPYRIDINE DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME KOWA CO (JP) 2014-11-05 EP disclosed
US-20140011823-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND DRUG CONTAINING SAME KOWA COMPANY, LTD. (JP) 2014-01-09 US disclosed
EP-2484675-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2012-08-08 EP disclosed
US-20120165353-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME KOWA COMPANY, LTD. (JP) 2012-06-28 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 (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-20140011823-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND DRUG CONTAINING SAME AGTR2, AGTR1, PPARD TSHR 289/4885WNT3A 4158/4885MME 3198/4885
US-20120165353-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME AGTR2, AGTR1, PPARD TSHR 461/4885WNT3A 4152/4885MME 2231/4885

“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.