SCHEMBL5433461

SCHEMBL5433461

COc1ccc(Br)c2cc(SS(=O)(=O)c3cc4c(Br)ccc(OC)c4sc3=O)c(=O)oc12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 3/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
MAOB P27338 1/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL829923 0.77 CA2 (0.38) F2RL3CA12CA1CA2CA9
SCHEMBL829998 0.74 CA12 (0.50) F2RL3CA12CA1CA2CA9
SCHEMBL5813408 0.66 CNR2 (0.55)
SCHEMBL1365752 0.65 ALDH1A1 (0.43) F2RL3ALDH1A1HPGDMAPT
SCHEMBL1368772 0.65 CA12 (0.47) F2RL3CA12CA1CA2CA9
SCHEMBL7423973 0.64 F2RL3 (0.42) F2RL3CA12CA1CA2CA9
SCHEMBL3610073 0.62 LMNA (0.57) F2RL3CA9ALDH1A1MAPT
SCHEMBL16345751 0.61 F2RL3 (0.46) F2RL3CA12CA1CA2CA9
SCHEMBL7425906 0.61 MAPT (0.51) F2RL3CA12CA1CA2CA9
SCHEMBL18317797 0.60 ALDH1A1 (0.40) F2RL3CA12CA1CA2CA9

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-20070232649-A1 Heteroaryl Sulfones and Sulfonamides and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-10-04 US disclosed
EP-1765804-A2 HETEROARYL SULFONES AND SULFONAMIDES AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2007-03-28 EP disclosed
WO-2005123077-A2 HETEROARYL SULFONES AND SULFONAMIDES AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-12-29 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-20070232649-A1 Heteroaryl Sulfones and Sulfonamides and Therapeutic Uses Thereof SULT1E1, STS, CCNE1 F2RL3 4141/4885CA12 2448/4885CA1 3859/4885

“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.