SCHEMBL4769803

SCHEMBL4769803

COc1cccc(CN(c2ccc(C(C(N)=O)c3ccc(C(F)(F)F)nc3)cc2)S(C)(=O)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
GPBAR1 Q8TDU6 4/20 0.40
GRM2 Q14416 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
PGR P06401 1/20 0.39
QPCT Q16769 1/20 0.39
TAS2R14 Q9NYV8 2/20 0.39
MAPT P10636 2/20 0.39
CYP11B1 P15538 1/20 0.39
ATM Q13315 1/20 0.38
PTPN1 P18031 1/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL4773555 0.89 TRPM8 (0.44) LMNA
SCHEMBL4770897 0.89 HDAC6 (0.40) LMNATRPV1TAS2R14MAPT
SCHEMBL4827914 0.88 LMNA (0.41) LMNATRPV1MAPT
SCHEMBL4773598 0.84 KMT2A (0.38) LMNATRPV1MAPT
SCHEMBL4775080 0.83 P2RX7 (0.39) LMNATRPV1MAPT
SCHEMBL4776875 0.81 P2RX7 (0.38) LMNATRPV1
SCHEMBL4771252 0.80 ALDH1A1 (0.47) LMNATRPV1MAPT
SCHEMBL4768267 0.80 TRPM8 (0.40) TRPV1MAPT
SCHEMBL4773000 0.80 TRPM8 (0.42) LMNAKEAP1NFE2L2TRPV1
SCHEMBL4772351 0.80 P2RX7 (0.43)

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 LMNA 1022/4885GPBAR1 3732/4885GRM2 2692/4885

“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.