SCHEMBL17814146

SCHEMBL17814146

CCS(=O)(=O)NC1COCc2c(-c3ccc4c(cnn4C)c3)cncc21

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 0.49
CYP11B2 P19099 12/20 0.49
CCNC P24863 5/20 0.41
CDK8 P49336 5/20 0.41
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
AR P10275 1/20 0.37
TRPA1 O75762 1/20 0.36

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
SCHEMBL17814108 0.94 CYP11B1 (0.49) CYP11B1CYP11B2CCNCCDK8BRD4
SCHEMBL17814144 0.86 CYP11B2 (0.42) CYP11B1CYP11B2BRD4CREBBP
SCHEMBL17814115 0.85 CYP11B1 (0.50) CYP11B1CYP11B2
SCHEMBL17814145 0.85 CYP11B1 (0.46) CYP11B1CYP11B2CCNCCDK8BRD4
SCHEMBL17814131 0.84 CYP11B2 (0.49) CYP11B1CYP11B2
SCHEMBL21105092 0.84 CDK8 (0.39) CYP11B1CYP11B2CCNCCDK8BRD4
SCHEMBL17814128 0.83 CYP11B1 (0.48) CYP11B1CYP11B2
SCHEMBL17814130 0.81 CYP11B2 (0.48) CYP11B1CYP11B2
SCHEMBL17814132 0.81 CYP11B1 (0.48) CYP11B1CYP11B2CCNCCDK8
SCHEMBL19348307 0.80 CDK8 (0.43) CYP11B1CYP11B2CCNCCDK8BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3227300-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-06-19 EP disclosed
US-9890171-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-13 US disclosed
US-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-09-21 US disclosed
WO-2016089800-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-06-09 WO 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 (1 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-20170267688-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, CYP11B2 CYP11B1 1/4885CYP11B2 3/4885CCNC 2192/4885

“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.