SCHEMBL4777539

SCHEMBL4777539

COC(=O)NCCCS(=O)(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(C(=O)N(C)c2ccc(C(F)(F)F)nc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 5/20 0.36
TRPM8 Q7Z2W7 5/20 0.36
GAA P10253 2/20 0.34
P2RX7 Q99572 4/20 0.33
ALDH1A1 P00352 1/20 0.33
OXTR P30559 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MCHR1 Q99705 1/20 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
SCHEMBL4771084 0.95 GPBAR1 (0.37) GPBAR1TRPM8GAAP2RX7ALDH1A1
SCHEMBL4777546 0.88 GAA (0.45) TRPM8GAALMNAMAPTSMN1; SMN2
SCHEMBL4767893 0.83 TRPM8 (0.37) GPBAR1TRPM8GAAALDH1A1OXTR
SCHEMBL4771090 0.83 GAA (0.46) TRPM8GAALMNAMAPTSMN1; SMN2
SCHEMBL4770902 0.80 GAA (0.46) TRPM8GAALMNAMAPTSMN1; SMN2
SCHEMBL4777521 0.79 GPBAR1 (0.42) GPBAR1TRPM8GAAP2RX7ALDH1A1
SCHEMBL4773604 0.79 GAA (0.45) TRPM8GAALMNAMAPTSMN1; SMN2
SCHEMBL5572009 0.79 GAA (0.44) GAAALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4771179 0.78 GAA (0.47) TRPM8GAALMNAMAPTSMN1; SMN2
SCHEMBL4778478 0.77 GAA (0.43) TRPM8GAALMNAMAPTSMN1; SMN2

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 GPBAR1 3732/4885TRPM8 3499/4885GAA 466/4885

“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.