SCHEMBL2099296

SCHEMBL2099296

COC(=O)c1ccc(N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)C2(c4ccc(Cl)cc4)CC2)C3)nc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.47
HSP90AA1 P07900 12/20 0.45
HSP90AB1 P08238 12/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CRBN Q96SW2 3/20 0.40
KCNH2 Q12809 1/20 0.40
KIT P10721 1/20 0.39
DDB1 Q16531 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
SCHEMBL1116648 1.00 AVPR1A (0.47) AVPR1AHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL2097262 0.91 HSP90AA1 (0.48) AVPR1AHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL2097261 0.91 HSP90AA1 (0.48) AVPR1AHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL1116559 0.90 HSP90AA1 (0.47) AVPR1AHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL1116560 0.90 HSP90AA1 (0.47) AVPR1AHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL2098543 0.89 HSP90AA1 (0.51) AVPR1AHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL2099002 0.89 HSP90AA1 (0.51) AVPR1AHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL2098690 0.88 AVPR1A (0.49) AVPR1AHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL2097159 0.88 AVPR1A (0.49) AVPR1AHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL1116640 0.88 HSP90AA1 (0.51) AVPR1AHSP90AA1HSP90AB1MEN1KMT2A

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 3 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-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

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 AVPR1A 317/4885HSP90AA1 529/4885HSP90AB1 411/4885
US-20090247515-A1 11 Beta-HSD1 Modulators HSD11B1, HSD11B2, HSD3B1 AVPR1A 311/4885HSP90AA1 376/4885HSP90AB1 336/4885

“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.