SCHEMBL4768017

SCHEMBL4768017

CC(C)(C)OC(=O)N1CCC(c2ccc(NS(=O)(=O)CCc3cccc(Cl)c3Cl)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STS P08842 5/20 0.52
NAMPT P43490 1/20 0.50
ALOX12 P18054 1/20 0.46
PTPRB P23467 1/20 0.46
PTPN11 Q06124 1/20 0.46
TGFBR1 P36897 8/20 0.44
MAPT P10636 1/20 0.44
GPR119 Q8TDV5 2/20 0.44
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42

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
SCHEMBL5567927 0.91 STS (0.45) STSNAMPTALOX12PTPRBPTPN11
SCHEMBL4770596 0.85 PTPRB (0.44) STSPTPRBPTPN11TGFBR1MAPT
SCHEMBL5568808 0.83 STS (0.54) STSMAPTGPR119PTPN2PTPN1
SCHEMBL5571647 0.80 MAPK14 (0.47)
SCHEMBL4776450 0.78 STAT3 (0.44) MAPT
SCHEMBL4768022 0.78 STS (0.50) STSNAMPTALOX12PTPRBPTPN11
SCHEMBL18379198 0.77 GPR119 (0.62) STSNAMPTTGFBR1MAPTGPR119
SCHEMBL5572114 0.76 IL1B (0.38) STSTGFBR1
SCHEMBL4773426 0.75 NAMPT (0.43) NAMPTMAPT
SCHEMBL16834973 0.73 ALOX12 (0.59) STSNAMPTALOX12TGFBR1GPR119

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 STS 4478/4885NAMPT 3369/4885ALOX12 4701/4885

“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.