SCHEMBL17987406

SCHEMBL17987406

CN(CCS(C)(=O)=O)C(=O)c1ccc(Cc2onc3c2C(=O)CC(C)(C)C3)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CYP11B2 P19099 6/20 0.47
▸ HPGD P15428 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ HDAC1 Q13547 4/20 0.32
▸ HDAC6 Q9UBN7 4/20 0.32
▸ ALPL P05186 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HDAC4 P56524 3/20 0.30
▸ HDAC9 Q9UKV0 1/20 0.30
▸ HDAC5 Q9UQL6 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
SCHEMBL17987405 0.89 CYP11B2 (0.56) ALDH1A1MEN1KMT2ACYP11B2HPGD
SCHEMBL17987297 0.86 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ACYP11B2HPGD
SCHEMBL17987402 0.82 CYP11B2 (0.58) ALDH1A1MEN1KMT2ACYP11B2HPGD
SCHEMBL17963584 0.80 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ACYP11B2HPGD
SCHEMBL17987298 0.79 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ACYP11B2HPGD
SCHEMBL17987347 0.79 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ACYP11B2HPGD
SCHEMBL17987399 0.78 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ACYP11B2HPGD
SCHEMBL17987395 0.77 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ACYP11B2HPGD
SCHEMBL17987295 0.76 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ACYP11B2HPGD
SCHEMBL20629820 0.75 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ACYP11B2HPGD

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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