SCHEMBL831485

SCHEMBL831485

Cc1cccc2oc(=O)c(S(=O)(=O)c3cc4c(C)cccc4oc3=O)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.51
CA1 P00915 4/20 0.51
CA9 Q16790 4/20 0.51
CA2 P00918 3/20 0.51
KDM4E B2RXH2 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
ALDH1A1 P00352 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ATM Q13315 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
PIK3CD O00329 2/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
MAOA P21397 1/20 0.40
CASP3 P42574 1/20 0.39
GAA P10253 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
SCHEMBL829548 0.80 CA12 (0.79) CA12CA1CA9CA2KDM4E
SCHEMBL28151177 0.76 MAOB (0.43) KDM4ENPSR1ALDH1A1RXFP1LMNA
SCHEMBL10262913 0.73 GPR55 (0.44) KDM4EALDH1A1MEN1KMT2APIK3CD
SCHEMBL830863 0.73 ADORA3 (0.56) CA12CA1CA9CA2KDM4E
SCHEMBL18025632 0.72 KDM4E (0.57) CA12CA1CA9CA2KDM4E
SCHEMBL830181 0.72 CA12 (0.74) CA12CA1CA9CA2KDM4E
SCHEMBL433952 0.70 CYP1A2 (0.46) KDM4EALDH1A1RXFP1LMNAMAOA
SCHEMBL28142720 0.69 MAOA (0.58) CA12CA1CA9KDM4EATM
SCHEMBL17177077 0.68 KDM4E (0.49) CA12CA9KDM4EALDH1A1LMNA
SCHEMBL18469526 0.68 CYP2A6 (0.39) NPSR1ALDH1A1MEN1KMT2ALMNA

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 7 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
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 CA12 2448/4885CA1 3859/4885CA9 1884/4885

“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.