SCHEMBL4318459

SCHEMBL4318459

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

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 15/20 0.56
GAA P10253 1/20 0.46
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
PABPC1 P11940 1/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
ELANE P08246 1/20 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
SCHEMBL3895948 0.88 GPBAR1 (0.53) GPBAR1ELANE
SCHEMBL3883418 0.88 GPBAR1 (0.58) GPBAR1KMT2APOLBPABPC1LMNA
SCHEMBL3892732 0.83 GPBAR1 (0.54) GPBAR1KMT2APOLBLMNARECQL
SCHEMBL3885330 0.82 GPBAR1 (0.72) GPBAR1GAAKMT2APOLBLMNA
SCHEMBL3891191 0.79 GPBAR1 (0.55) GPBAR1KMT2APOLBLMNARECQL
SCHEMBL3888040 0.75 GPBAR1 (0.51) GPBAR1KMT2APOLBELANE
SCHEMBL3887529 0.74 HTT (0.73) GPBAR1LMNA
SCHEMBL3885174 0.74 ROCK1 (0.68) GPBAR1
SCHEMBL17478163 0.73 GPBAR1 (0.70) GPBAR1
SCHEMBL17478157 0.71 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592357-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-20080058384-A1 Novel Compounds GLAXOSMITHKLINE LLC 2008-03-06 US 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 2826/4885GAA 2742/4885KMT2A 3760/4885

“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.