SCHEMBL3883418

SCHEMBL3883418

CCN1C(=O)CC(c2ccc(C(F)(F)F)cc2)C(C(=O)OC)=C1C

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 10/20 0.58
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
ELANE P08246 1/20 0.48
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 2/20 0.46
APOBEC3A P31941 2/20 0.46
APOBEC3G Q9HC16 2/20 0.46
PABPC1 P11940 1/20 0.45

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
SCHEMBL4318459 0.88 GPBAR1 (0.56) GPBAR1KMT2APOLBELANELMNA
SCHEMBL3888040 0.87 GPBAR1 (0.51) GPBAR1KMT2APOLBELANE
SCHEMBL3892732 0.86 GPBAR1 (0.54) GPBAR1KMT2APOLBELANELMNA
SCHEMBL3885330 0.85 GPBAR1 (0.72) GPBAR1KMT2APOLBELANELMNA
SCHEMBL3891191 0.81 GPBAR1 (0.55) GPBAR1KMT2APOLBLMNARECQL
SCHEMBL9118463 0.81 HSP90AA1 (0.55) KMT2APOLBLMNARECQLALDH1A1
SCHEMBL3887529 0.76 HTT (0.73) GPBAR1LMNA
SCHEMBL3895948 0.75 GPBAR1 (0.53) GPBAR1ELANEALDH1A1
SCHEMBL7492934 0.74 HSP90AA1 (0.56) KMT2APOLBLMNARECQLALDH1A1
SCHEMBL17478095 0.74 GPBAR1 (1.00) GPBAR1

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 2826/4885KMT2A 3760/4885POLB 2977/4885

“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.