SCHEMBL17987402

SCHEMBL17987402

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 2/20 0.58
▸ ALDH1A1 P00352 3/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HDAC1 Q13547 6/20 0.38
▸ HDAC6 Q9UBN7 6/20 0.38
▸ LMNA P02545 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ HDAC4 P56524 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33

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
SCHEMBL17987295 0.92 ALDH1A1 (0.49) CYP11B2ALDH1A1MEN1KMT2AHPGD
SCHEMBL20629817 0.88 ALDH1A1 (0.56) CYP11B2ALDH1A1MEN1KMT2AHPGD
SCHEMBL17987401 0.87 ALDH1A1 (0.54) CYP11B2ALDH1A1MEN1KMT2AHPGD
SCHEMBL20547143 0.86 CYP11B2 (0.47) CYP11B2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20547063 0.83 ALDH1A1 (0.52) CYP11B2ALDH1A1MEN1KMT2AHPGD
SCHEMBL17987346 0.83 ALDH1A1 (0.52) CYP11B2ALDH1A1MEN1KMT2AHPGD
SCHEMBL17987403 0.83 ALDH1A1 (0.52) CYP11B2ALDH1A1MEN1KMT2AHPGD
SCHEMBL17987305 0.83 ALDH1A1 (0.52) CYP11B2ALDH1A1MEN1KMT2AHPGD
SCHEMBL17987406 0.82 ALDH1A1 (0.49) CYP11B2ALDH1A1MEN1KMT2AHPGD
SCHEMBL17963584 0.81 ALDH1A1 (0.60) CYP11B2ALDH1A1MEN1KMT2AHPGD

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 CYP11B2 5/4885ALDH1A1 250/4885MEN1 610/4885
US-10131642-B1 Aldosterone synthase inhibitors CYP21A2, CYP11B1, CYP17A1 CYP11B2 5/4885ALDH1A1 250/4885MEN1 610/4885

“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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