SCHEMBL5509692

SCHEMBL5509692

CSc1cc(Br)sc1S(N)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.38
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA12 O43570 2/20 0.36
CA14 Q9ULX7 1/20 0.36
PKM P14618 1/20 0.34
CA3 P07451 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL5515628 0.72 CA2 (0.37) CA1CA2CA9CA12CA14
SCHEMBL29419597 0.70 ALDH1A1 (0.32) ALDH1A1POLB
SCHEMBL9356255 0.70
SCHEMBL5517761 0.69 CA1 (0.42) OPRD1CA1CA2CA9CA12
SCHEMBL5509508 0.69 OPRD1 (0.49) OPRD1CA1CA2CA9CA12
SCHEMBL22781498 0.69
SCHEMBL5515853 0.66 CA2 (0.37) CA1CA2CA9CA12CA14
SCHEMBL23531739 0.64 CA2 (0.43) OPRD1CA1CA2CA9CA12
SCHEMBL31488146 0.63 OPRD1 (0.40) OPRD1CA1CA2CA9
SCHEMBL6968712 0.63 OPRD1 (0.33) OPRD1CA1CA2CA9CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250430-B2 Thiophene-and thiazolesulfonamides as antineoplastic agents ELI LILLY AND COMPANY (US) 2007-07-31 US disclosed
US-20060223871-A1 Thiophene-and thiazolesulfonamides as antineoplastic agents GROSSMAN CORA S 2006-10-05 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-20060223871-A1 Thiophene-and thiazolesulfonamides as antineoplastic agents TPMT, TST, MGMT OPRD1 4641/4885CA1 1002/4885CA2 1394/4885

“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.