SCHEMBL2098543

SCHEMBL2098543

NC(=O)c1ccc(N2C3CCC2CC(NC(=O)C2(c4ccc(Cl)cc4)CC2)C3)nc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 18/20 0.51
HSP90AB1 P08238 18/20 0.51
AVPR1A P37288 1/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2099002 1.00 HSP90AA1 (0.51) HSP90AA1HSP90AB1AVPR1AMEN1KMT2A
SCHEMBL1116560 0.91 HSP90AA1 (0.47) HSP90AA1HSP90AB1AVPR1AMEN1KMT2A
SCHEMBL1116559 0.91 HSP90AA1 (0.47) HSP90AA1HSP90AB1AVPR1AMEN1KMT2A
SCHEMBL2097261 0.90 HSP90AA1 (0.48) HSP90AA1HSP90AB1AVPR1AMEN1KMT2A
SCHEMBL2097262 0.90 HSP90AA1 (0.48) HSP90AA1HSP90AB1AVPR1AMEN1KMT2A
SCHEMBL2620517 0.90 HSP90AA1 (0.55) HSP90AA1HSP90AB1
SCHEMBL1117128 0.90 HSP90AA1 (0.49) HSP90AA1HSP90AB1
SCHEMBL1117132 0.90 HSP90AA1 (0.49) HSP90AA1HSP90AB1
SCHEMBL1116644 0.90 HSP90AA1 (0.51) HSP90AA1HSP90AB1AVPR1AMEN1KMT2A
SCHEMBL1116640 0.90 HSP90AA1 (0.51) HSP90AA1HSP90AB1AVPR1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163771-B2 11 β-HSD1 modulators EXELIXIS, INC. (US) 2012-04-24 US disclosed
US-8163771-B2 11 β-HSD1 modulators EXELIXIS, INC. (US) 2012-04-24 US disclosed
US-8163771-B2 11 β-HSD1 modulators EXELIXIS, INC. (US) 2012-04-24 US disclosed
US-20100105675-A2 11 BETA-HSD1 MODULATORS EXELIXIS, INC. (US) 2010-04-29 US disclosed
US-20100105675-A2 11 BETA-HSD1 MODULATORS EXELIXIS, INC. (US) 2010-04-29 US disclosed
US-20100105675-A2 11 BETA-HSD1 MODULATORS EXELIXIS, INC. (US) 2010-04-29 US disclosed
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 US disclosed
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 US disclosed
US-20090247515-A1 11 Beta-HSD1 Modulators EXELIXIS, INC. (US) 2009-10-01 US 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 (2 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-20100105675-A2 11 BETA-HSD1 MODULATORS HSD11B1, HSD11B2, HSD3B1 HSP90AA1 529/4885HSP90AB1 411/4885AVPR1A 317/4885
US-20090247515-A1 11 Beta-HSD1 Modulators HSD11B1, HSD11B2, HSD3B1 HSP90AA1 376/4885HSP90AB1 336/4885AVPR1A 311/4885

“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.