SCHEMBL8745699

SCHEMBL8745699

Cc1cc2ccc(C(O)(c3c[nH]nn3)C(C)C)cc2cc1C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 17/20 0.49
CYP17A1 P05093 13/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49

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
SCHEMBL5020196 0.87 CYP3A4 (0.65) CYP3A4CYP17A1CYP2C9CYP2C19
Seviteronel SCHEMBL30596789 0.85 CYP3A4 (0.69) CYP3A4CYP17A1CYP2C9CYP2C19
Seviteronel SCHEMBL4561168 0.85 CYP3A4 (0.69) CYP3A4CYP17A1CYP2C9CYP2C19
Seviteronel SCHEMBL29364397 0.85 CYP3A4 (0.69) CYP3A4CYP17A1CYP2C9CYP2C19
Seviteronel SCHEMBL20459170 0.85 CYP3A4 (0.69) CYP3A4CYP17A1CYP2C9CYP2C19
Seviteronel SCHEMBL23299702 0.85 CYP3A4 (0.69) CYP3A4CYP17A1CYP2C9CYP2C19
SCHEMBL5020315 0.84 CYP3A4 (0.68) CYP3A4CYP17A1CYP2C9CYP2C19
SCHEMBL5020272 0.80 CYP17A1 (0.69) CYP3A4CYP17A1CYP2C9CYP2C19
SCHEMBL4560846 0.77 CYP17A1 (0.70) CYP3A4CYP17A1CYP2C9CYP2C19
SCHEMBL8745752 0.74 AR (0.30) CYP3A4CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2018-08-09 US disclosed
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2017-05-25 US disclosed
US-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-8623892-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2013-07-18 US disclosed
US-8389543-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 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 (5 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-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CYP3A4 558/4885CYP17A1 649/4885CYP2C9 840/4885
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CYP3A4 558/4885CYP17A1 649/4885CYP2C9 840/4885
US-20130184309-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CYP3A4 558/4885CYP17A1 649/4885CYP2C9 840/4885
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CYP3A4 558/4885CYP17A1 649/4885CYP2C9 840/4885
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO CYP3A4 558/4885CYP17A1 649/4885CYP2C9 840/4885

“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.