SCHEMBL20870224

SCHEMBL20870224

Cc1cc(=O)oc2cc(NC(C)(C)C)ccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.64
▸ CA12 O43570 6/20 0.64
▸ CA9 Q16790 6/20 0.64
▸ CA1 P00915 4/20 0.64
▸ LMNA P02545 2/20 0.64
▸ L3MBTL1 Q9Y468 2/20 0.64
▸ CA4 P22748 1/20 0.61
▸ KDM4E B2RXH2 10/20 0.60
▸ HPGD P15428 8/20 0.60
▸ HSD17B10 Q99714 6/20 0.60
▸ RAB9A P51151 4/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ NPC1 O15118 3/20 0.60
▸ GAA P10253 6/20 0.57
▸ GLA P06280 6/20 0.57
▸ CASP1 P29466 3/20 0.57
▸ CASP7 P55210 3/20 0.57
▸ PKM P14618 2/20 0.57
▸ MAOB P27338 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57

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
SCHEMBL4929354 0.84 CA12 (0.65) ALDH1A1CA12CA9CA1LMNA
SCHEMBL4927986 0.84 ALDH1A1 (0.57) ALDH1A1CA12CA9CA1LMNA
SCHEMBL3361958 0.83 ALDH1A1 (0.68) ALDH1A1CA12CA9CA1LMNA
SCHEMBL29673209 0.83 CA12 (0.72) ALDH1A1CA12CA9CA1LMNA
SCHEMBL1034943 0.83 CA12 (0.72) ALDH1A1CA12CA9CA1LMNA
SCHEMBL16266302 0.82 ALDH1A1 (0.66) ALDH1A1CA12CA9CA1LMNA
SCHEMBL16316724 0.82 ALDH1A1 (0.66) ALDH1A1CA12CA9CA1LMNA
SCHEMBL24865358 0.81 ALDH1A1 (0.72) ALDH1A1CA12CA9CA1LMNA
SCHEMBL11227792 0.81 CA12 (0.72) ALDH1A1CA12CA9CA1KDM4E
SCHEMBL26375305 0.81 CA9 (0.72) ALDH1A1CA12CA9CA1KDM4E

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
US-20230008495-A1 NOVEL COMPOUNDS AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 UNIV PARIS (FR) 2023-01-12 — — US disclosed
US-11407741-B2 Compounds and their use as selective inhibitors of caspase-2 Universite De Paris (FR) 2022-08-09 — — US disclosed
US-10961219-B2 Derivatives and their use as selective inhibitors of caspase-2 INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2021-03-30 — — US disclosed
US-20200317647-A1 NOVEL COMPOUNDS AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 UNIVERSITÉ PARIS CITÉ (FR) 2020-10-08 — — US disclosed
US-20190100508-A1 NOVEL DERIVATIVES AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 UNIVERSITÉ PARIS CITÉ (FR) 2019-04-04 — — US 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 (5 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-20230008495-A1 NOVEL COMPOUNDS AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 CASP2, CASP1, CASP5 ALDH1A1 2295/4885CA12 1869/4885CA9 2582/4885
US-20190100508-A1 NOVEL DERIVATIVES AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 CASP2, CASP1, CASP5 ALDH1A1 2103/4885CA12 1988/4885CA9 2911/4885
US-10961219-B2 Derivatives and their use as selective inhibitors of caspase-2 CASP2, CASP1, CASP3 ALDH1A1 2030/4885CA12 1553/4885CA9 2019/4885
US-20200317647-A1 NOVEL COMPOUNDS AND THEIR USE AS SELECTIVE INHIBITORS OF CASPASE-2 CASP2, CASP1, CASP5 ALDH1A1 2295/4885CA12 1869/4885CA9 2582/4885
US-11407741-B2 Compounds and their use as selective inhibitors of caspase-2 CASP2, CASP1, CASP3 ALDH1A1 2054/4885CA12 1486/4885CA9 1874/4885

“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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