SCHEMBL4187902

SCHEMBL4187902

CC(C)C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)NCC1CN(S(=O)(=O)c2ccccc2C#N)CCO1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 12/20 0.46
CTSS P25774 7/20 0.46
TRPA1 O75762 1/20 0.40
TACR2 P21452 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CTSK P43235 9/20 0.35
CTSB P07858 3/20 0.35
CTSV O60911 1/20 0.35

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
SCHEMBL4191695 0.91 TRPA1 (0.38) CTSLCTSSTRPA1TACR2KDM4E
SCHEMBL4178256 0.91 CTSL (0.44) CTSLCTSSTACR2ALDH1A1HTT
SCHEMBL4188253 0.90 CTSL (0.43) CTSLCTSSTRPA1TACR2ALDH1A1
SCHEMBL4186149 0.89 TRPA1 (0.46) CTSLCTSSTRPA1TACR2ALDH1A1
SCHEMBL4188430 0.88 TRPA1 (0.42) CTSLCTSSTRPA1KDM4EALDH1A1
SCHEMBL4171002 0.86 CTSL (0.49) CTSLCTSSCTSKCTSB
SCHEMBL4188244 0.86 CTSL (0.41) CTSLCTSSTACR2ALDH1A1CTSK
SCHEMBL5488368 0.85 CTSL (0.43) CTSLCTSSTACR2ALDH1A1HTT
SCHEMBL4185942 0.85 CTSK (0.48) CTSSTACR2CTSKCTSB
SCHEMBL4183416 0.85 CTSK (0.48) CTSSTACR2CTSKCTSB

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