SCHEMBL829923

SCHEMBL829923

COc1ccc(Br)c2cc(S(=O)(=O)c3cc4c(Br)ccc(OC)c4sc3=O)c(=O)sc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.38
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 3/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
ERN1 O75460 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GLA P06280 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
F2RL3 Q96RI0 1/20 0.33
NQO2 P16083 1/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL1365752 0.77 ALDH1A1 (0.43) MAPTTSHRPOLBERN1ALDH1A1
SCHEMBL5433461 0.77 F2RL3 (0.38) CA2MAPTCA12CA1CA9
SCHEMBL830995 0.75 RXFP1 (0.44) CA2MAPTGAATSHRPOLB
SCHEMBL829998 0.71 CA12 (0.50) CA2MAPTGAACA12CA1
SCHEMBL830967 0.71 ALDH1A1 (0.43) TSHRPOLBMAPK1ALDH1A1KDM4E
SCHEMBL830318 0.71 CA2 (0.58) CA2MAPTTSHRMAPK1CA12
SCHEMBL829112 0.71 ALDH1A1 (0.39) CA2TSHRMAPK1ERN1ALDH1A1
SCHEMBL2170429 0.69 PDE4B (0.50) CA2MAPTTSHRERN1ALDH1A1
SCHEMBL829572 0.67 HTT (0.40) CA2MAPTPOLBERN1CA12
SCHEMBL10369128 0.65 CA2 (0.65) CA2CA12CA1CA9

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 4 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 claimed
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 claimed
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 claimed
US-8143428-B2 Heteroaryl sulfones and sulfonamides and therapeutic uses thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-03-27 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-20070232649-A1 Heteroaryl Sulfones and Sulfonamides and Therapeutic Uses Thereof SULT1E1, STS, CCNE1 CA2 2552/4885MAPT 4837/4885GAA 2447/4885

“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.