SCHEMBL831223

SCHEMBL831223

Nc1cc(CS(=O)(=O)CC(=O)O)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
CA2 P00918 5/20 0.38
CA1 P00915 4/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ALDH1A1 P00352 1/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2338516 0.85 HSD11B1 (0.45) MMP12MMP13CA2KMT2AHSD11B1
SCHEMBL829636 0.77 VCAM1 (0.50) ALDH1A1POLBKDM4E
SCHEMBL831127 0.76 KMT2A (0.51) MMP12MMP13POLBKMT2AHSD11B1
SCHEMBL7055740 0.76 CA2 (0.59) CA2CA1CA12CA9CA7
SCHEMBL1178304 0.73 FFAR1 (0.51) CA2CA1
SCHEMBL11829487 0.72 MMP12 (0.53) MMP12MMP13KMT2AHSD11B1LMNA
SCHEMBL23077771 0.71 CYP1A2 (0.53) ALDH1A1KMT2ATSHRMAPTLMNA
SCHEMBL10533121 0.71 HPGD (0.40) CA2CA1CA12CA9CA7
SCHEMBL2338220 0.71 CA2 (0.52) MMP12MMP13CA2CA1ALDH1A1
SCHEMBL11805178 0.71 CYP3A4 (0.61) CA2CA1CA12CA9CA7

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-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 MMP12 1929/4885MMP13 4033/4885CA2 2552/4885

“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.