SCHEMBL3885330

SCHEMBL3885330

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 7/20 0.72
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
TP53 P04637 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.45
ELANE P08246 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HPGD P15428 1/20 0.43
GUSB P08236 1/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL3888065 0.86 GPBAR1 (0.52) GPBAR1HSP90AA1HSP90AB1MAPK1ELANE
SCHEMBL3885251 0.86 GPBAR1 (0.77) GPBAR1TP53KDM4EGAAHTT
SCHEMBL3883418 0.85 GPBAR1 (0.58) GPBAR1ALDH1A1POLBELANEKMT2A
SCHEMBL3885724 0.84 GPBAR1 (1.00) GPBAR1KDM4ENPSR1HPGDLMNA
SCHEMBL3889088 0.83 GPBAR1 (0.53) GPBAR1HSP90AA1HSP90AB1TP53ALDH1A1
SCHEMBL4318459 0.82 GPBAR1 (0.56) GPBAR1POLBGAAELANEKMT2A
SCHEMBL17478172 0.81 GPBAR1 (0.77) GPBAR1
SCHEMBL3892732 0.80 GPBAR1 (0.54) GPBAR1HSP90AA1HSP90AB1ALDH1A1POLB
SCHEMBL7934386 0.79 TSHR (0.69) GPBAR1HSP90AA1HSP90AB1TP53KDM4E
SCHEMBL17413886 0.79 TP53 (0.74) TP53KDM4EALDH1A1POLBGAA

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 2826/4885HSP90AA1 1004/4885HSP90AB1 791/4885

“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.