SCHEMBL4191695

SCHEMBL4191695

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
CTSS P25774 3/20 0.36
CTSL P07711 2/20 0.36
TACR2 P21452 1/20 0.35
CNR2 P34972 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ATM Q13315 1/20 0.33
REN P00797 1/20 0.33
MAPK1 P28482 1/20 0.33
CTSK P43235 1/20 0.33
EHMT2 Q96KQ7 1/20 0.33

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
SCHEMBL4187902 0.91 CTSL (0.46) TRPA1ALDH1A1CTSSCTSLTACR2
SCHEMBL4188430 0.88 TRPA1 (0.42) TRPA1ALDH1A1CTSSCTSLCNR2
SCHEMBL4188373 0.86 CTSS (0.39) CTSSCTSLKDM4ERAB9AATM
SCHEMBL4188460 0.85 CTSK (0.44) CTSSTACR2RAB9ACTSK
SCHEMBL4179274 0.84 CNR1 (0.43) ALDH1A1CTSSCTSLRAB9ARXFP1
SCHEMBL4181177 0.82 KMT2A (0.39) ALDH1A1CTSSTACR2POLB
SCHEMBL5487435 0.82 CTSL (0.40) CTSSCTSLKDM4EHPGDRAB9A
SCHEMBL4178256 0.82 CTSL (0.44) ALDH1A1CTSSCTSLTACR2HTT
SCHEMBL4183317 0.81 ATM (0.40) ALDH1A1HSD17B10RAB9AATMREN
SCHEMBL4180904 0.81 CTSK (0.48) CTSSTACR2RAB9ACTSK

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 TRPA1 6/4885ALDH1A1 961/4885USP2 4543/4885

“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.