SCHEMBL4648490

SCHEMBL4648490

NS(=O)(=O)c1cc(C(=O)O)c(Br)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA3 P07451 2/20 0.49
CA4 P22748 2/20 0.49
CA6 P23280 2/20 0.49
CA5A P35218 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA13 Q8N1Q1 2/20 0.49
CA14 Q9ULX7 2/20 0.49
CA5B Q9Y2D0 2/20 0.49
CISD1 Q9NZ45 1/20 0.40
TSHR P16473 1/20 0.37
HSD17B10 Q99714 2/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL16237381 0.81 DAO (0.37) CA2CA12CA1CA3CA4
SCHEMBL21962066 0.80 CA2 (0.45) CA2CA12CA1CA5ACA7
SCHEMBL9429522 0.78 DAO (0.55) CA2CA12CA1CA3CA4
SCHEMBL5524092 0.76 CA2 (0.44) CA2CA1CA3CA9LMNA
SCHEMBL4648825 0.74 TSHR (0.39) CA2CA12CA1CA3CA4
SCHEMBL623602 0.71 TSHR (0.45) CA2CA12CA1CA3CA4
SCHEMBL5512490 0.71 CA2 (0.40) CA2
SCHEMBL2345395 0.71 CA2 (0.41) CA2CA12CA1CA3CA4
Hydrochloric Acid SCHEMBL29045760 0.70 TSHR (0.43) CA2CA12CA1CA3CA4
SCHEMBL2825614 0.68 ALDH1A1 (0.53) TSHRHSD17B10AKR1C4AKR1C3AKR1C2

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
EP-1959964-A1 HETEROAROMATIC SULFONAMIDE PRODRUGS Bayer Schering Pharma AG (DE) 2008-08-27 EP disclosed
US-20070135399-A1 Heteroaromatic sulphonamide prodrugs BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-06-14 US disclosed
WO-2007062875-A1 HETEROAROMATIC SULFONAMIDE PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-06-07 WO 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-20070135399-A1 Heteroaromatic sulphonamide prodrugs SULT2A1, SULT1E1, SULT1A1 CA2 29/4885CA12 407/4885CA1 129/4885

“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.