SCHEMBL830645

SCHEMBL830645

COc1ccc2sc(=O)c(S(=O)(=O)Nc3ccc(F)c(N)c3)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.44
SGK1 O00141 3/20 0.42
BACE1 P56817 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALPL P05186 1/20 0.40
LMNA P02545 2/20 0.39
CLK1 P49759 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39
TP53 P04637 1/20 0.39
PLAU P00749 1/20 0.39
PPARA Q07869 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL829745 0.82 PKM (0.43) CA2SMN1; SMN2FFAR4NPSR1ALPL
SCHEMBL829343 0.81 PLAU (0.45) CA2BACE1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL830915 0.79 CA2 (0.58) CA2SMN1; SMN2FFAR4ALDH1A1LMNA
SCHEMBL830220 0.78 SGK1 (0.39) SGK1FFAR4ALPLPOLBPKM
SCHEMBL830755 0.76 PGR (0.46) SMN1; SMN2ALDH1A1NPSR1ALPLLMNA
SCHEMBL829834 0.75 HTT (0.50) SMN1; SMN2ALDH1A1NPSR1LMNAMAPK1
SCHEMBL829683 0.74 CA2 (0.57) CA2BACE1ALDH1A1CLK1PKM
SCHEMBL830658 0.73 PGR (0.51) SMN1; SMN2ALDH1A1NPSR1ALPLLMNA
SCHEMBL831019 0.72 LMNA (0.43) CA2SGK1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL829708 0.72 TP53 (0.48) SMN1; SMN2NPSR1LMNAHTTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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 CA2 2552/4885SGK1 2934/4885BACE1 3397/4885

“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.