SCHEMBL17987399

SCHEMBL17987399

CC1(C)CC(=O)c2c(noc2Cc2ccc(OCCS(C)(=O)=O)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP11B2 P19099 4/20 0.36
▸ OPRM1 P35372 5/20 0.35
▸ OPRD1 P41143 5/20 0.35
▸ ALPL P05186 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ PLA2G2A P14555 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL17987395 0.95 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL17987351 0.92 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL17987359 0.85 MEN1 (0.41) ALDH1A1MEN1KMT2APLA2G2AHRH3
SCHEMBL17963587 0.84 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL17987414 0.83 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL17963585 0.83 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL17963612 0.83 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL17987408 0.82 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL17987536 0.82 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL17987404 0.81 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD

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-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
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 ALDH1A1 250/4885MEN1 610/4885KMT2A 3968/4885
US-10131642-B1 Aldosterone synthase inhibitors CYP21A2, CYP11B1, CYP17A1 ALDH1A1 250/4885MEN1 610/4885KMT2A 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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