SCHEMBL4773304

SCHEMBL4773304

COC(=O)CCCNC(=O)c1ccc(NS(=O)(=O)CCc2cccc(Cl)c2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 2/20 0.42
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA4 P22748 4/20 0.41
CA6 P23280 4/20 0.41
CA7 P43166 4/20 0.41
CA9 Q16790 4/20 0.41
CA13 Q8N1Q1 4/20 0.41
CA14 Q9ULX7 4/20 0.41
CA5B Q9Y2D0 4/20 0.41
CA5A P35218 3/20 0.41
CA3 P07451 3/20 0.41
HSP90AA1 P07900 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL4777516 0.89 L3MBTL1 (0.41) ALDH1A1KMT2AL3MBTL1HDAC6HIF1A
SCHEMBL4767724 0.89 L3MBTL1 (0.41) ALDH1A1HPGDNPSR1KMT2AL3MBTL1
SCHEMBL4773300 0.89 CA1 (0.47) ALDH1A1HPGDNPSR1KMT2ACA1
SCHEMBL4769612 0.89 HDAC6 (0.42) ALDH1A1KMT2AL3MBTL1HDAC6HIF1A
SCHEMBL4774787 0.88 HPGD (0.47) ALDH1A1HPGDKMT2AL3MBTL1HIF1A
SCHEMBL4773557 0.87 L3MBTL1 (0.43) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL4768057 0.87 L3MBTL1 (0.43) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL4777421 0.87 L3MBTL1 (0.43) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL4773260 0.87 L3MBTL1 (0.44) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL4767750 0.86 HDAC6 (0.44) ALDH1A1KMT2ACA2L3MBTL1HDAC6

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 ALDH1A1 2159/4885HPGD 2681/4885NPSR1 4395/4885

“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.