SCHEMBL4771001

SCHEMBL4771001

CN(C(=O)c1ccc(NS(=O)(=O)N(Cc2cccc(Cl)c2Cl)C(=O)OC(C)(C)C)cc1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
GPBAR1 Q8TDU6 5/20 0.36
TRPM8 Q7Z2W7 3/20 0.36
REN P00797 1/20 0.34
PTK2 Q05397 1/20 0.33
P2RX7 Q99572 3/20 0.33
MAPT P10636 1/20 0.33
OXTR P30559 1/20 0.33
LIMK2 P53671 2/20 0.32

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
SCHEMBL4770994 0.85 MAPT (0.41) ALDH1A1GAAMAPT
SCHEMBL4777438 0.84 TRPM8 (0.36) ALDH1A1GAAGPBAR1TRPM8REN
SCHEMBL4777521 0.81 GPBAR1 (0.42) ALDH1A1GAAGPBAR1TRPM8P2RX7
SCHEMBL4777432 0.78 TRPM8 (0.37) ALDH1A1GAAGPBAR1TRPM8P2RX7
SCHEMBL4776918 0.78 TRPM8 (0.41) GPBAR1TRPM8P2RX7OXTR
SCHEMBL4767615 0.77 NR1H3 (0.41) ALDH1A1GPBAR1TRPM8P2RX7MAPT
SCHEMBL4771084 0.76 GPBAR1 (0.37) ALDH1A1GAAGPBAR1TRPM8P2RX7
SCHEMBL4777539 0.75 GPBAR1 (0.36) ALDH1A1GAAGPBAR1TRPM8P2RX7
SCHEMBL4767893 0.74 TRPM8 (0.37) ALDH1A1GAAGPBAR1TRPM8OXTR
SCHEMBL4777442 0.72 GAA (0.44) GAATRPM8MAPT

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
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US disclosed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 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-20070135435-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 ALDH1A1 2159/4885GAA 466/4885GPBAR1 3732/4885

“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.