SCHEMBL3887529

SCHEMBL3887529

COC(=O)C1=C(C)NC(=O)CC1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.73
GPBAR1 Q8TDU6 4/20 0.69
PKM P14618 1/20 0.55
ROCK1 Q13464 5/20 0.55
RPS6KA1 Q15418 4/20 0.55
RPS6KB1 P23443 3/20 0.55
ROCK2 O75116 1/20 0.53
TSHR P16473 2/20 0.53
LMNA P02545 1/20 0.51
TP53 P04637 2/20 0.51
GUSB P08236 1/20 0.51

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
SCHEMBL3895930 0.86 GPBAR1 (0.67) HTTGPBAR1ROCK1RPS6KA1RPS6KB1
SCHEMBL3891266 0.86 HTT (0.78) HTTGPBAR1PKMROCK1RPS6KA1
SCHEMBL13522411 0.84 HTT (0.76) HTTGPBAR1PKMTSHRLMNA
SCHEMBL880467 0.83 HTT (0.78) HTTGPBAR1PKMTSHRLMNA
SCHEMBL10280315 0.83 HTT (0.78) HTTGPBAR1PKMTSHRLMNA
SCHEMBL880375 0.83 HTT (0.78) HTTGPBAR1PKMTSHRLMNA
SCHEMBL17484775 0.82 HTT (0.62) HTTGPBAR1PKMROCK1RPS6KA1
SCHEMBL17478177 0.82 HTT (0.62) HTTGPBAR1PKMROCK1RPS6KA1
SCHEMBL3885967 0.82 TP53 (0.58) HTTGPBAR1PKMROCK1RPS6KA1
SCHEMBL880255 0.82 GPBAR1 (1.00) HTTGPBAR1TSHRTP53

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-7592357-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
EP-1718638-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-22 EP disclosed
US-20080058384-A1 Novel Compounds GLAXOSMITHKLINE LLC 2008-03-06 US disclosed
EP-1718638-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082890-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 WO 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-20080058384-A1 Novel Compounds ARHGDIB, TNK2, ROCK2 HTT 4525/4885GPBAR1 2826/4885PKM 2645/4885

“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.