SCHEMBL31680401

SCHEMBL31680401

COc1cc([C@H]2CCCO2)cc(OC)c1S(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 3/20 0.40
▸ KMT2A Q03164 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ PTGES2 Q9H7Z7 1/20 0.37
▸ APLNR P35414 6/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ CA4 P22748 1/20 0.34
▸ CFTR P13569 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL31680404 1.00 PTAFR (0.40) PTAFRKMT2AHTTPTGES2APLNR
SCHEMBL31511185 0.86 KMT2A (0.40) PTAFRKMT2AHTTAPLNRKDM4E
SCHEMBL31511196 0.86 KMT2A (0.40) PTAFRKMT2AHTTAPLNRKDM4E
SCHEMBL8379136 0.79 PTAFR (0.64) PTAFRKMT2AKDM4EALDH1A1HPGD
SCHEMBL31511201 0.77 PTAFR (0.45) PTAFRKMT2AKDM4EALDH1A1HPGD
SCHEMBL31511168 0.77 PTAFR (0.45) PTAFRKMT2AKDM4EALDH1A1HPGD
SCHEMBL10517191 0.74 ALDH1A1 (0.53) PTAFRALDH1A1
SCHEMBL11588846 0.74 PTPN1 (0.57) —
SCHEMBL30474578 0.74 PTPN1 (0.57) —
SCHEMBL31680417 0.72 QDPR (0.57) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250276966-A1 Nitrogen-Linked Benzisoxazole Sulfonamide Derivatives PFIZER (US) 2025-09-04 — — 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 (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-20250276966-A1 Nitrogen-Linked Benzisoxazole Sulfonamide Derivatives CCNI, MKI67, CCNA1 PTAFR 4054/4885KMT2A 1509/4885HTT 4608/4885

“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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