SCHEMBL4085660

SCHEMBL4085660

Nc1nc(SCc2ccccc2)nc(-c2cc(C(=O)NCCO)c(Cl)cc2Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.49
CA1 P00915 10/20 0.49
CA2 P00918 10/20 0.49
CA6 P23280 10/20 0.49
CA7 P43166 10/20 0.49
CA13 Q8N1Q1 10/20 0.49
CA3 P07451 9/20 0.49
CA9 Q16790 9/20 0.49
CA14 Q9ULX7 9/20 0.49
CA5B Q9Y2D0 9/20 0.49
CA5A P35218 8/20 0.49
CA4 P22748 7/20 0.49
CXCR2 P25025 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HSP90AA1 P07900 2/20 0.41
NTRK1 P04629 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PAK4 O96013 1/20 0.39

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
SCHEMBL4093480 0.87 NTRK1 (0.42) CA12CA1CA2CA6CA7
SCHEMBL4098596 0.86 CXCR2 (0.41) CA12CA1CA2CA6CA7
SCHEMBL4093400 0.85 HSP90AA1 (0.46) CA12CA1CA2CA6CA7
SCHEMBL4086244 0.83 TP53 (0.48) RXFP1HSP90AA1NPC1RAB9ASMN1; SMN2
SCHEMBL14563047 0.81 CA1 (0.53) CA12CA1CA2CA6CA7
SCHEMBL4092198 0.81 SLC6A12 (0.43) CA12CA1CA2CA6CA7
SCHEMBL4087263 0.80 NTRK1 (0.39) CA12CA1CA2CA6CA7
SCHEMBL2847985 0.78 HSP90AA1 (0.50) CXCR2HSP90AA1NPC1RAB9ASMN1; SMN2
SCHEMBL4096516 0.77 HRH4 (0.43) HSP90AA1NPC1RAB9ASMN1; SMN2PAK4
SCHEMBL4093130 0.77 HTT (0.50) CA12CA1CA2CA6CA7

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2036895-B9 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-07-10 EP claimed
EP-2036895-B1 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-01-16 EP claimed
US-20090247524-A1 HSP90 Inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-10-01 US claimed
EP-2036895-A1 HSP90 INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-03-18 EP claimed
EP-2036895-B9 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-07-10 EP disclosed
EP-2036895-B1 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-01-16 EP disclosed
US-8193351-B2 HSP90 inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-05 US disclosed
US-8193351-B2 HSP90 inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-05 US disclosed
US-8193351-B2 HSP90 inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-05 US disclosed
US-20090247524-A1 HSP90 Inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-10-01 US disclosed
US-20090247524-A1 HSP90 Inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-10-01 US disclosed
US-20090247524-A1 HSP90 Inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-10-01 US disclosed
EP-2036895-A1 HSP90 INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-03-18 EP 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-20090247524-A1 HSP90 Inhibitor HSP90AB1, HSP90B1, HSP90AA1 CA12 4827/4885CA1 4795/4885CA2 4497/4885

“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.