SCHEMBL3889088

SCHEMBL3889088

COC(=O)C1=C(C)N(C)C(=O)CC1c1ccc(C(F)(F)F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.53
GUSB P08236 1/20 0.43
LMNA P02545 3/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ELANE P08246 1/20 0.39
NR3C2 P08235 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CFTR P13569 1/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4322087 0.88 MAPK1 (0.41) GPBAR1LMNAPOLBELANESMN1; SMN2
SCHEMBL3889971 0.84 GPBAR1 (0.67) GPBAR1LMNATSHRNPSR1ALDH1A1
SCHEMBL3885330 0.83 GPBAR1 (0.72) GPBAR1GUSBLMNARECQLKMT2A
SCHEMBL3885967 0.81 TP53 (0.58) GPBAR1GUSBTSHRPKMSMN1; SMN2
SCHEMBL3885385 0.75 ROCK1 (0.57) KMT2APOLBMEN1
SCHEMBL3884931 0.75 ROCK1 (0.60)
SCHEMBL3885251 0.74 GPBAR1 (0.77) GPBAR1LMNAKMT2ATSHRNPSR1
SCHEMBL10280224 0.73 TSHR (0.66) GPBAR1LMNAKMT2APOLBTSHR
SCHEMBL3886406 0.71 GPBAR1 (0.49) GPBAR1LMNAKMT2ATSHRALDH1A1
SCHEMBL3886598 0.70 TP53 (0.53) GPBAR1TSHRPKMSMN1; SMN2TP53

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 GPBAR1 2826/4885GUSB 3014/4885LMNA 3788/4885

“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.