SCHEMBL2098552

SCHEMBL2098552

CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2c1ccc(C(=O)NC2CC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 18/20 0.54
HSP90AB1 P08238 18/20 0.54
RET P07949 1/20 0.49
JAK1 P23458 1/20 0.46

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
SCHEMBL2098551 1.00 HSP90AA1 (0.54) HSP90AA1HSP90AB1RETJAK1
SCHEMBL2426807 0.89 RET (0.51) HSP90AA1HSP90AB1RETJAK1
SCHEMBL2426809 0.89 RET (0.51) HSP90AA1HSP90AB1RETJAK1
SCHEMBL2426043 0.88 HSP90AA1 (0.60) HSP90AA1HSP90AB1RET
SCHEMBL1116607 0.88 HSP90AA1 (0.51) HSP90AA1HSP90AB1RETJAK1
SCHEMBL1116609 0.88 HSP90AA1 (0.51) HSP90AA1HSP90AB1RETJAK1
SCHEMBL2426041 0.88 HSP90AA1 (0.60) HSP90AA1HSP90AB1RET
Hydrochloric Acid SCHEMBL2427947 0.87 HSP90AA1 (0.59) HSP90AA1HSP90AB1RET
Hydrochloric Acid SCHEMBL2427950 0.87 HSP90AA1 (0.59) HSP90AA1HSP90AB1RET
SCHEMBL3980998 0.86 RET (0.49) HSP90AA1HSP90AB1RETJAK1

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 HSP90AA1 529/4885HSP90AB1 411/4885RET 4286/4885
US-20090247515-A1 11 Beta-HSD1 Modulators HSD11B1, HSD11B2, HSD3B1 HSP90AA1 376/4885HSP90AB1 336/4885RET 4259/4885

“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.