SCHEMBL31680417

SCHEMBL31680417

COc1cc(C2CCN(C)CC2)cc(OC)c1S(N)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ QDPR P09417 3/20 0.57
▸ TGFBR1 P36897 1/20 0.39
▸ ACVR1 Q04771 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CA7 P43166 3/20 0.39
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ HTR6 P50406 2/20 0.38
▸ EGFR P00533 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ MAPK7 Q13164 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ DRD3 P35462 1/20 0.36

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
SCHEMBL22062946 0.73 QDPR (0.56) QDPRTGFBR1ACVR1KCNH2
SCHEMBL29517150 0.73 QDPR (0.68) QDPRTGFBR1ACVR1KCNH2PDE4B
SCHEMBL520554 0.73 QDPR (0.68) QDPRTGFBR1ACVR1KCNH2PDE4B
SCHEMBL31680401 0.72 PTAFR (0.40) —
SCHEMBL31680404 0.72 PTAFR (0.40) —
SCHEMBL31511163 0.72 QDPR (0.33) QDPRCA7CA1CA2CA9
SCHEMBL22063793 0.72 QDPR (0.55) QDPRTGFBR1ACVR1KCNH2
SCHEMBL22802428 0.71 TRPV4 (0.39) QDPRCA1CA2TP53PDE4B
SCHEMBL10208059 0.71 QDPR (0.70) QDPRTGFBR1ACVR1KCNH2PDE4B
SCHEMBL22063779 0.71 QDPR (0.54) QDPRTGFBR1ACVR1KCNH2

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 QDPR 1586/4885TGFBR1 3893/4885ACVR1 2148/4885

“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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