SCHEMBL9948776

SCHEMBL9948776

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
S1PR1 P21453 2/20 0.36
BRS3 P32247 4/20 0.35
WNT3A P56704 2/20 0.34
PTGES O14684 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FAAH O00519 1/20 0.34
PRKDC P78527 1/20 0.33
ATM Q13315 1/20 0.33
ATR Q13535 1/20 0.33
MME P08473 1/20 0.33
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
FFAR1 O14842 1/20 0.32
AKR1B1 P15121 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
SCHEMBL9948774 1.00 TSHR (0.36) TSHRS1PR1BRS3WNT3APTGES
SCHEMBL15869628 0.91 TSHR (0.35) TSHRS1PR1BRS3WNT3APTGES
SCHEMBL9947939 0.90 TSHR (0.38) TSHRS1PR1BRS3WNT3AFAAH
SCHEMBL9947933 0.90 TSHR (0.38) TSHRS1PR1BRS3WNT3AFAAH
SCHEMBL9947942 0.90 TSHR (0.38) TSHRS1PR1BRS3WNT3AFAAH
SCHEMBL9947916 0.89 TSHR (0.40) TSHRS1PR1BRS3WNT3AFAAH
SCHEMBL9947923 0.89 TSHR (0.40) TSHRS1PR1BRS3WNT3AFAAH
SCHEMBL9947919 0.89 TSHR (0.40) TSHRS1PR1BRS3WNT3AFAAH
SCHEMBL15869687 0.81 TSHR (0.37) TSHRS1PR1WNT3AL3MBTL1FAAH
SCHEMBL15418230 0.81 TSHR (0.38) TSHRS1PR1BRS3WNT3AFAAH

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
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 (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-20120165353-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME AGTR2, AGTR1, PPARD TSHR 461/4885S1PR1 1082/4885BRS3 1038/4885

“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.