SCHEMBL13877872

SCHEMBL13877872

C[C@@H]1C[C@@]2(C)O[C@@](C)(C1)[C@H](O)[C@@H]2O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL13884626 1.00 CYP3A4 (0.35) CYP3A4ESR1ESR2
SCHEMBL19264727 0.84 CYP3A4 (0.31) CYP3A4
SCHEMBL19264432 0.84 CYP3A4 (0.31) CYP3A4
SCHEMBL18306972 0.81 CYP3A4 (0.36) CYP3A4
SCHEMBL13877839 0.73 CYP3A4 (0.32) CYP3A4
SCHEMBL18083771 0.73 CYP3A4 (0.32) CYP3A4
SCHEMBL19264728 0.70 CYP3A4 (0.36) CYP3A4
SCHEMBL19264322 0.70 CYP3A4 (0.32) CYP3A4
SCHEMBL13877825 0.70
SCHEMBL15139329 0.68 CYP3A4 (0.31) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3208269-A1 INHIBITORS OF C-FMS KINASE Janssen Pharmaceutica N.V. (BE) 2017-08-23 EP disclosed
EP-2215079-B1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA NV (BE) 2016-12-14 EP disclosed
EP-3091006-A1 SULFONYLATION PROCESS USING NONAFLUOROBUTANESULFONYL FLUORIDE Janssen Pharmaceutica N.V. (BE) 2016-11-09 EP disclosed
EP-2882744-B1 PROCESS FOR THE PREPARATION OF C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-09-21 EP disclosed
US-20150232439-A1 PROCESS FOR THE PREPARATION OF C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-08-20 US disclosed
US-20150232439-A1 PROCESS FOR THE PREPARATION OF C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-08-20 US disclosed
US-9029352-B2 Process for the preparation of C-FMS kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-05-12 US disclosed
US-20140045789-A1 PROCESS FOR THE PREPARATION OF C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-02-13 US disclosed
US-8497376-B2 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-30 US disclosed
US-8497376-B2 4-Cyano-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2,6-dioxo-piperidin-4-yl)-phenyl]-amide; tyrosine kinase inhibitor; autoimmune diseases, antiinflammatory, anticarcinogenic agent JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-30 US disclosed
US-20090105296-A1 INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 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 (3 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-20150232439-A1 PROCESS FOR THE PREPARATION OF C-FMS KINASE INHIBITORS FLT3, FES, FER CYP3A4 1671/4885ESR1 1539/4885ESR2 1686/4885
US-20090105296-A1 INHIBITORS OF C-FMS KINASE MUSK, FRK, FES CYP3A4 3330/4885ESR1 1475/4885ESR2 1366/4885
US-20140045789-A1 PROCESS FOR THE PREPARATION OF C-FMS KINASE INHIBITORS FLT3, FES, FER CYP3A4 1671/4885ESR1 1539/4885ESR2 1686/4885

“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.