SCHEMBL5330736

SCHEMBL5330736

O=C(O)c1ccc(NS(=O)(=O)c2cccnc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
SNCA P37840 1/20 0.62
TDP1 Q9NUW8 1/20 0.60
KEAP1 Q14145 1/20 0.59
NFE2L2 Q16236 1/20 0.59
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
PKLR P30613 1/20 0.55
NAMPT P43490 3/20 0.55
GAA P10253 1/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
PTGS2 P35354 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
SCHEMBL11655582 0.87 SNCA (0.60) ALDH1A1SNCATDP1KEAP1NFE2L2
SCHEMBL1676750 0.85 POLB (0.64) ALDH1A1SNCANAMPTGAAKMT2A
SCHEMBL5331749 0.85 KEAP1 (0.66) ALDH1A1SNCATDP1KEAP1NFE2L2
SCHEMBL784141 0.84 KEAP1 (0.66) ALDH1A1SNCATDP1KEAP1NFE2L2
SCHEMBL893905 0.82 CA12 (0.73) ALDH1A1KEAP1CA12CA1CA2
SCHEMBL5330598 0.81 CA12 (0.67) ALDH1A1TDP1CA12CA1CA2
SCHEMBL31108983 0.81 NAMPT (0.61) ALDH1A1NAMPTGAAKMT2AMEN1
SCHEMBL2565637 0.81 KEAP1 (0.64) ALDH1A1SNCAKEAP1NFE2L2GAA
SCHEMBL29118864 0.80 KEAP1 (0.65) ALDH1A1SNCAKEAP1NFE2L2CA1
SCHEMBL30676966 0.80 KEAP1 (0.65) ALDH1A1SNCAKEAP1NFE2L2CA1

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-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2023-05-11 US disclosed
US-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2023-05-11 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-4117151-A FOR TREATMENT OF ANGINA PECTORIS LABAZ (FR) 1978-09-26 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 (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-20230143250-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF HSD17B1, HSD17B13, HSD17B3 ALDH1A1 125/4885SNCA 4741/4885TDP1 3118/4885

“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.