SCHEMBL17814133

SCHEMBL17814133

CCS(=O)(=O)NC1COCc2c(-c3ccc4[nH]nc(C)c4c3)cncc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 15/20 0.47
CYP11B1 P15538 13/20 0.47
DYRK1A Q13627 2/20 0.38
PLK4 O00444 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK1 P06493 1/20 0.38
RPS6KB1 P23443 1/20 0.38
CDK2 P24941 1/20 0.38
MARK3 P27448 1/20 0.38
TYK2 P29597 1/20 0.38
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
JAK3 P52333 1/20 0.38
LIMK1 P53667 1/20 0.38
CDK5 Q00535 1/20 0.38
PRKCD Q05655 1/20 0.38

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
SCHEMBL17814129 0.94 CYP11B2 (0.46) CYP11B2CYP11B1JAK2TYK2JAK3
SCHEMBL17814095 0.86 CYP11B1 (0.45) CYP11B2CYP11B1JAK2TYK2JAK3
SCHEMBL21105114 0.86 MAP3K8 (0.35) CYP11B2CYP11B1DYRK1APRMT5WDR77
SCHEMBL17814137 0.85 CYP11B2 (0.51) CYP11B2CYP11B1
SCHEMBL17814149 0.84 CYP11B2 (0.46) CYP11B2CYP11B1
SCHEMBL21105091 0.83 CYP11B2 (0.35) CYP11B2CYP11B1DYRK1APRMT5WDR77
SCHEMBL19348305 0.81 PRMT5 (0.37) CYP11B2CYP11B1DYRK1AJAK2TYK2
SCHEMBL21105221 0.80 PRMT5 (0.34) CYP11B2CYP11B1PRMT5WDR77MAP3K8
SCHEMBL17814209 0.80 CYP11B1 (0.36) CYP11B2CYP11B1DYRK1AJAK2CLK2
SCHEMBL17814135 0.80 CYP11B1 (0.50) CYP11B2CYP11B1

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 CYP11B2 3/4885CYP11B1 1/4885DYRK1A 3407/4885

“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.