SCHEMBL11896997

SCHEMBL11896997

CCCCC(=O)C(Cc1ccc(-c2ccccc2C#N)cn1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA4 P48058 1/20 0.41
MME P08473 1/20 0.40
FFAR1 O14842 1/20 0.40
AKR1B1 P15121 1/20 0.40
HIF1A Q16665 1/20 0.39
AVPR2 P30518 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
PTPN1 P18031 1/20 0.38
CTSA P10619 2/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
FAAH O00519 1/20 0.37
ESR2 Q92731 1/20 0.37
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
BRS3 P32247 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36

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
SCHEMBL9948441 0.90 TSHR (0.41) TSHRGRIA2GRIA4MMEFFAR1
SCHEMBL2572010 0.85 MME (0.52) TSHRGRIA2GRIA4MMEFFAR1
SCHEMBL9710320 0.82 MME (0.51) TSHRGRIA2GRIA4MMEFFAR1
SCHEMBL9710219 0.81 MME (0.50) TSHRGRIA2GRIA4MMEFFAR1
SCHEMBL9710577 0.81 MME (0.50) TSHRGRIA2GRIA4MMEFFAR1
SCHEMBL11897519 0.81 TSHR (0.40) TSHRMMEFFAR1AKR1B1PTPN1
SCHEMBL8317308 0.78 MME (0.54) GRIA2GRIA4MMEFFAR1AKR1B1
SCHEMBL27867507 0.78 TSHR (0.39) TSHRGRIA2GRIA4MMEFFAR1
SCHEMBL15418005 0.78 FAAH (0.40) TSHRMMEFFAR1AKR1B1FAAH
SCHEMBL16458059 0.78 TSHR (0.39) TSHRGRIA2GRIA4MMEFFAR1

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-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
EP-2484675-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2012-08-08 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-20140011823-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND DRUG CONTAINING SAME AGTR2, AGTR1, PPARD TSHR 289/4885GRIA2 131/4885GRIA4 284/4885

“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.