SCHEMBL3883649

SCHEMBL3883649

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

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.69
TP53 P04637 8/20 0.55
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL4322189 0.87 TP53 (0.69) GPBAR1TP53TSHRSMN1; SMN2MAPT
SCHEMBL3885661 0.87 GPBAR1 (0.71) GPBAR1TP53TSHRSMN1; SMN2ALOX15
SCHEMBL17782167 0.86 TP53 (0.56) GPBAR1TP53TSHRALOX15
SCHEMBL3886598 0.83 TP53 (0.53) GPBAR1TP53TSHRSMN1; SMN2
SCHEMBL17478023 0.82 GPBAR1 (1.00) GPBAR1TP53SMN1; SMN2
SCHEMBL3898543 0.80 TP53 (0.67) GPBAR1TP53TSHRSMN1; SMN2ALOX15
SCHEMBL2572171 0.80 MAPK1 (0.55) GPBAR1TSHRALOX15
SCHEMBL3888823 0.79 GPBAR1 (0.65) GPBAR1TP53TSHRALOX15
SCHEMBL7928701 0.78 ADRA1A (0.52) GPBAR1TP53
SCHEMBL5661329 0.78 ADRA1A (0.52) GPBAR1TP53

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 2826/4885TP53 3036/4885TSHR 4509/4885

“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.