SCHEMBL3886598

SCHEMBL3886598

CC1=C(C(=O)O)C(c2ccc(C(F)(F)F)cc2F)CC(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.53
GPBAR1 Q8TDU6 2/20 0.50
ROCK1 Q13464 5/20 0.45
RPS6KA1 Q15418 4/20 0.45
RPS6KB1 P23443 3/20 0.45
ROCK2 O75116 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
IDO1 P14902 1/20 0.42
TSHR P16473 1/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL3885967 0.87 TP53 (0.58) TP53GPBAR1ROCK1RPS6KA1RPS6KB1
SCHEMBL4322189 0.85 TP53 (0.69) TP53GPBAR1SMN1; SMN2IDO1TSHR
SCHEMBL3883649 0.83 GPBAR1 (0.69) TP53GPBAR1SMN1; SMN2TSHR
SCHEMBL3895930 0.81 GPBAR1 (0.67) TP53GPBAR1ROCK1RPS6KA1RPS6KB1
SCHEMBL4322087 0.78 MAPK1 (0.41) GPBAR1SMN1; SMN2
SCHEMBL3898543 0.78 TP53 (0.67) TP53GPBAR1SMN1; SMN2TSHRPKM
SCHEMBL3885823 0.76 ROCK1 (0.79) ROCK1RPS6KA1RPS6KB1ROCK2
SCHEMBL3886366 0.76 ROCK1 (0.81) TP53ROCK1RPS6KA1RPS6KB1ROCK2
SCHEMBL3885355 0.75 ROCK1 (0.68) TP53ROCK1RPS6KA1RPS6KB1ROCK2
SCHEMBL3896684 0.74 ROCK1 (0.57) TP53GPBAR1ROCK1RPS6KA1RPS6KB1

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 TP53 3036/4885GPBAR1 2826/4885ROCK1 6/4885

“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.