SCHEMBL5364834

SCHEMBL5364834

COc1cc(C(=O)O)ccc1NS(C)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ CA12 O43570 1/20 0.57
▸ CA1 P00915 1/20 0.57
▸ CA2 P00918 1/20 0.57
▸ CA4 P22748 1/20 0.57
▸ CA6 P23280 1/20 0.57
▸ CA7 P43166 1/20 0.57
▸ TPMT P51580 1/20 0.57
▸ CA9 Q16790 1/20 0.57
▸ CA14 Q9ULX7 1/20 0.57
▸ NEU3 Q9UQ49 1/20 0.56
▸ HTT P42858 2/20 0.54
▸ RAD52 P43351 1/20 0.53
▸ PKM P14618 1/20 0.51
▸ TSHR P16473 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50

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
SCHEMBL25072828 0.89 CA12 (0.59) CA12CA1CA2CA4CA6
SCHEMBL5494824 0.88 ACLY (0.58) SMN1; SMN2ALDH1A1MEN1KMT2ACA12
SCHEMBL25139809 0.88 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1MEN1KMT2ACA12
SCHEMBL25734164 0.85 HPGD (0.66) ALDH1A1CA12CA1CA2CA4
SCHEMBL25139674 0.84 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1MEN1KMT2ANPSR1
SCHEMBL20209032 0.82 NEU3 (0.51) SMN1; SMN2ALDH1A1MEN1KMT2ACA12
SCHEMBL12998566 0.82 PTGS1 (0.61) SMN1; SMN2ALDH1A1MEN1KMT2ANEU3
SCHEMBL29791247 0.82 NEU3 (0.63) SMN1; SMN2ALDH1A1MEN1KMT2ANEU3
SCHEMBL21729816 0.82 CA12 (0.67) SMN1; SMN2ALDH1A1MEN1KMT2ACA12
SCHEMBL567311 0.82 NEU3 (0.63) SMN1; SMN2ALDH1A1MEN1KMT2ANEU3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 — — US disclosed
WO-2007144379-A1 BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS MEDIVIR AB (SE) 2007-12-21 — — WO disclosed
WO-2007144379-A1 BICYCLIC COMPOUNDS USEFUL AS CATHEPSIN S INBHIBITORS MEDIVIR AB (SE) 2007-12-21 — — WO disclosed
US-4696931-A CARDIOVASCULAR DISORDERS, CARDIOTONIC AGENTS DR. KARL THOMAE GMBH (DE) 1987-09-29 — — US disclosed
US-4582837-A Imidazo[4,5-b] and [4,5-c]pyridine derivatives having cardiotonic activity DR. KARL THOMAE GMBH (DE) 1986-04-15 — — US disclosed
EP-0098448-A2 Imidazole derivatives, their preparation and medicines containing these compounds Dr. Karl Thomae GmbH (DE) 1984-01-18 — — EP 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 (1 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-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 SMN1; SMN2 1898/4885ALDH1A1 3716/4885MEN1 3029/4885

“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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