SCHEMBL4186149

SCHEMBL4186149

CC(C)C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)NCC1CN(S(=O)(=O)c2ccc(C#N)cc2)CCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
CTSL P07711 4/20 0.46
CTSS P25774 2/20 0.46
POLB P06746 4/20 0.39
ALDH1A1 P00352 2/20 0.39
THRB P10828 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
S100A4 P26447 1/20 0.36
PPARG P37231 1/20 0.36
RECQL P46063 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
UTS2R Q9UKP6 1/20 0.36

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
SCHEMBL5488368 0.91 CTSL (0.43) CTSLCTSSPOLBALDH1A1THRB
SCHEMBL4187902 0.89 CTSL (0.46) TRPA1CTSLCTSSALDH1A1HTT
SCHEMBL4178281 0.87 TRPV4 (0.46) TRPA1CTSLCTSSUTS2RCTSB
SCHEMBL4178256 0.87 CTSL (0.44) CTSLCTSSPOLBALDH1A1THRB
SCHEMBL4188253 0.85 CTSL (0.43) TRPA1CTSLCTSSALDH1A1TACR2
SCHEMBL4178313 0.84 KMT2A (0.39) CTSLCTSSPOLBALDH1A1THRB
SCHEMBL4188244 0.84 CTSL (0.41) CTSLCTSSALDH1A1KMT2AMEN1
SCHEMBL4191695 0.80 TRPA1 (0.38) TRPA1CTSLCTSSPOLBALDH1A1
SCHEMBL4188430 0.78 TRPA1 (0.42) TRPA1CTSLCTSSPOLBALDH1A1
SCHEMBL4183297 0.76 CCR1 (0.50) CTSLCTSSPOLBALDH1A1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 US claimed
EP-1869026-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2007-12-26 EP claimed
WO-2006105475-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-05 WO claimed
US-20090124619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-05-14 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-20090124619-A1 NOVEL COMPOUNDS TRPV4, TRPC4, TRPV1 TRPA1 6/4885CTSL 867/4885CTSS 1717/4885

“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.