SCHEMBL4776875

SCHEMBL4776875

CS(=O)(=O)N(Cc1cccc(F)c1F)c1ccc(C(C(N)=O)c2ccc(C(F)(F)F)nc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.38
RECQL P46063 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
ALDH1A1 P00352 1/20 0.35
RIPK1 Q13546 1/20 0.34
TRPA1 O75762 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 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
SCHEMBL4776639 0.92 ALDH1A1 (0.40) P2RX7RECQLTRPV1ALDH1A1TRPA1
SCHEMBL4768267 0.87 TRPM8 (0.40) P2RX7TRPV1ALDH1A1GAA
SCHEMBL4771252 0.87 ALDH1A1 (0.47) P2RX7RECQLTRPV1ALDH1A1GAA
SCHEMBL4773000 0.87 TRPM8 (0.42) P2RX7TRPV1ALDH1A1GAALMNA
SCHEMBL4772351 0.87 P2RX7 (0.43) P2RX7GAA
SCHEMBL4773370 0.86 ALDH1A1 (0.41) P2RX7ALDH1A1GAALMNA
SCHEMBL4831822 0.86 GAA (0.47) P2RX7ALDH1A1GAA
SCHEMBL4770849 0.86 ALDH1A1 (0.39) P2RX7ALDH1A1GAALMNA
SCHEMBL4772423 0.86 P2RX7 (0.41) P2RX7ALDH1A1GAA
SCHEMBL4776557 0.86 P2RX7 (0.44) P2RX7ALDH1A1GAALMNA

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 P2RX7 4514/4885RECQL 139/4885TRPV1 4265/4885

“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.