SCHEMBL4769798

SCHEMBL4769798

COc1cccc(CN(c2ccc(N(C=O)Cc3ccc(C(F)(F)F)nc3)cc2)S(C)(=O)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.44
QPCT Q16769 2/20 0.41
PGR P06401 2/20 0.41
GPBAR1 Q8TDU6 3/20 0.40
CYP11B1 P15538 1/20 0.40
NR3C1 P04150 1/20 0.39
GRIN1 Q05586 1/20 0.38
PTPN1 P18031 1/20 0.38
TAS2R14 Q9NYV8 2/20 0.38
LMNA P02545 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4773550 0.88 HDAC6 (0.44) NR3C1GRIN1LMNAALDH1A1
SCHEMBL4770892 0.88 LMNA (0.43) GRM2LMNACNR1CNR2NPSR1
SCHEMBL5571422 0.87 LMNA (0.40) PGRNR3C1LMNACNR1CNR2
SCHEMBL4773593 0.83 CNR1 (0.36) LMNACNR1CNR2NPSR1
SCHEMBL4775075 0.82 CNR2 (0.37) LMNACNR1CNR2ALDH1A1
SCHEMBL4776872 0.81 RECQL (0.39) GRM2LMNACNR1CNR2ALDH1A1
SCHEMBL4768261 0.80 TRPM8 (0.38) GRM2NR3C1ALDH1A1
SCHEMBL4771247 0.80 ALDH1A1 (0.42) GRM2LMNACNR1CNR2ALDH1A1
SCHEMBL4776637 0.80 RECQL (0.36) LMNACNR1CNR2ALDH1A1NPSR1
SCHEMBL4772997 0.80 TRPM8 (0.39) ALDH1A1

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 GRM2 2692/4885QPCT 3654/4885PGR 3039/4885

“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.