SCHEMBL3190652

SCHEMBL3190652

Cc1ccc(S(=O)(=O)NBr)cc1.[KH]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ CA1 P00915 2/20 0.59
▸ CA2 P00918 2/20 0.59
▸ MMP1 P03956 1/20 0.59
▸ MMP2 P08253 1/20 0.59
▸ MMP9 P14780 1/20 0.59
▸ MMP8 P22894 1/20 0.59
▸ MMP13 P45452 1/20 0.59
▸ ALDH1A1 P00352 9/20 0.55
▸ KDM4E B2RXH2 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ TDP1 Q9NUW8 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ ALOX12 P18054 3/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ CYP2C9 P11712 3/20 0.53
▸ CYP2C19 P33261 3/20 0.53
▸ CYP1A2 P05177 2/20 0.53

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
SCHEMBL3182522 0.98 GAA (0.64) GAASMN1; SMN2CA1CA2MMP1
SCHEMBL31169783 0.98 GAA (0.64) GAASMN1; SMN2CA1CA2MMP1
SCHEMBL5854983 0.95 GAA (0.61) GAASMN1; SMN2CA1CA2MMP1
SCHEMBL15301365 0.81 GAA (0.67) GAASMN1; SMN2CA1CA2MMP1
Styrene SCHEMBL28501274 0.79 CA12 (0.50) GAASMN1; SMN2CA1CA2MMP1
SCHEMBL28678466 0.79 GAA (0.95) GAASMN1; SMN2CA1CA2MMP1
SCHEMBL29658990 0.79 ALDH1A1 (0.67) GAASMN1; SMN2CA1CA2MMP1
SCHEMBL187561 0.78 GAA (0.70) GAASMN1; SMN2CA1CA2MMP1
SCHEMBL7627224 0.78 ALDH1A1 (0.72) GAASMN1; SMN2CA1CA2MMP1
Tosylchloramide SCHEMBL2242608 0.77 GAA (0.61) GAASMN1; SMN2CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4146496-A ALKALI METAL N-BROMO ARYL SULFONAMIDE PROMOTER COLGATE-PALMOLIVE COMPANY (US) 1979-03-27 — — US claimed
US-7662969-B2 Efficient aziridination of olefins catalyzed by dirhodium catalysts UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2010-02-16 — — US disclosed
US-20060211870-A1 Efficient aziridination of olefins catalyzed by dirhodium catalysts THE UNIVERSITY OF MARYLAND COLLEGE PARK (US) 2006-09-21 — — 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-20060211870-A1 Efficient aziridination of olefins catalyzed by dirhodium catalysts RPL24, RPL26, ZDHHC20 GAA 3331/4885SMN1; SMN2 4580/4885CA1 2072/4885

“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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