SCHEMBL17987307

SCHEMBL17987307

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PLA2G10 O15496 1/20 0.40
▸ PLA2G2A P14555 1/20 0.40
▸ CYP17A1 P05093 1/20 0.36
▸ LMNA P02545 2/20 0.33
▸ HSP90AA1 P07900 4/20 0.32
▸ HSP90AB1 P08238 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CLEC4M Q9H2X3 1/20 0.30
▸ PARP10 Q53GL7 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ GFER P55789 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
SCHEMBL17963580 0.90 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL17963588 0.84 MEN1 (0.40) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL17987357 0.83 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL17987347 0.83 ALDH1A1 (0.59) ALDH1A1MEN1KMT2APLA2G10PLA2G2A
SCHEMBL17987308 0.82 CYP11B2 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL20547143 0.80 CYP11B2 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL17987314 0.80 PLA2G2A (0.42) ALDH1A1MEN1KMT2APLA2G2A
SCHEMBL17987345 0.76 ALDH1A1 (0.42) ALDH1A1MEN1KMT2APLA2G10PLA2G2A
SCHEMBL20629830 0.74 MEN1 (0.41) ALDH1A1MEN1KMT2APLA2G2A
SCHEMBL17963592 0.74 MEN1 (0.41) ALDH1A1MEN1KMT2APLA2G2A

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 5 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
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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