SCHEMBL17963592

SCHEMBL17963592

CC1(C)Cc2noc(Cc3ccc(OCCCS(C)(=O)=O)cc3)c2C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PLA2G2A P14555 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ FFAR1 O14842 11/20 0.33
▸ LTA4H P09960 2/20 0.32
▸ MAOB P27338 1/20 0.30

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
SCHEMBL17987359 0.95 MEN1 (0.41) MEN1ALDH1A1KMT2APLA2G2AHRH3
SCHEMBL17987395 0.85 ALDH1A1 (0.57) MEN1ALDH1A1KMT2APLA2G2AHRH3
SCHEMBL20629830 0.82 MEN1 (0.41) MEN1ALDH1A1KMT2APLA2G2AMAOB
SCHEMBL17987358 0.82 MEN1 (0.44) MEN1ALDH1A1KMT2ALTA4H
SCHEMBL17987319 0.81 MEN1 (0.43) MEN1ALDH1A1KMT2APLA2G2AHRH3
SCHEMBL17987399 0.80 ALDH1A1 (0.58) MEN1ALDH1A1KMT2APLA2G2AHRH3
SCHEMBL20630113 0.79 MEN1 (0.38) MEN1ALDH1A1KMT2APLA2G2ALTA4H
SCHEMBL20547143 0.78 CYP11B2 (0.47) MEN1ALDH1A1KMT2A
SCHEMBL17987323 0.78 MEN1 (0.38) MEN1ALDH1A1KMT2APLA2G2AHRH3
SCHEMBL17987357 0.78 ALDH1A1 (0.43) MEN1ALDH1A1KMT2AMAOB

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
EP-3250569-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-01-09 — — EP disclosed
EP-3250569-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-01-09 — — EP disclosed
US-10131642-B1 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-20 — — US disclosed
US-20180312475-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-01 — — US disclosed
EP-3250569-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2017-12-06 — — EP disclosed
WO-2016123275-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-04 — — WO disclosed
WO-2016123275-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-04 — — 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 (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-20180312475-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 MEN1 610/4885ALDH1A1 250/4885KMT2A 3968/4885
US-10131642-B1 Aldosterone synthase inhibitors CYP21A2, CYP11B1, CYP17A1 MEN1 610/4885ALDH1A1 250/4885KMT2A 3968/4885

“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.

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