SCHEMBL4178281

SCHEMBL4178281

CC(C)C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)NCC1CN(S(=O)(=O)c2ccc(C#N)cc2)CCO1.O=C(NCC1CN(S(=O)(=O)c2ccc(Cl)cc2Cl)CCO1)c1cc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 7/20 0.46
UTS2R Q9UKP6 2/20 0.40
CTSK P43235 5/20 0.37
CTSS P25774 2/20 0.36
CTSL P07711 1/20 0.36
TRPA1 O75762 1/20 0.36
CTSB P07858 1/20 0.36
F10 P00742 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
SCHEMBL4186149 0.87 TRPA1 (0.46) UTS2RCTSKCTSSCTSLTRPA1
SCHEMBL4185931 0.86 TRPV4 (0.60) TRPV4UTS2RCTSKCTSSCTSB
SCHEMBL4178713 0.86 TRPV4 (0.60) TRPV4UTS2RCTSKCTSSCTSB
SCHEMBL4185675 0.86 TRPV4 (0.60) TRPV4UTS2RCTSKCTSSCTSB
SCHEMBL5488368 0.84 CTSL (0.43) CTSSCTSLF10
SCHEMBL5493100 0.83 TRPV4 (0.58) TRPV4UTS2RCTSKCTSSCTSB
SCHEMBL4178416 0.82 UTS2R (0.51) TRPV4UTS2RCTSKCTSSCTSB
SCHEMBL4192146 0.80 TRPV4 (0.53) TRPV4UTS2RCTSKCTSSCTSL
SCHEMBL4187923 0.80 TRPV4 (0.53) TRPV4UTS2RCTSKCTSSCTSL
SCHEMBL4181177 0.80 KMT2A (0.39) CTSSF10

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 TRPV4 1/4885UTS2R 391/4885CTSK 1738/4885

“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.