SCHEMBL829548

SCHEMBL829548

COc1cccc2oc(=O)c(S(=O)(=O)c3cc4c(OC)cccc4oc3=O)cc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.79
CA1 P00915 2/20 0.79
CA2 P00918 2/20 0.79
CA9 Q16790 2/20 0.79
CNR2 P34972 1/20 0.57
CYP2A6 P11509 1/20 0.54
CNR1 P21554 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAOA P21397 2/20 0.48
NPC1 O15118 2/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL830646 0.87 CA12 (0.73) CA12CA1CA2CA9CNR2
SCHEMBL9923789 0.80 CA12 (0.62) CA12CA1CA2CA9CNR2
SCHEMBL831485 0.80 CA12 (0.51) CA12CA1CA2CA9KDM4E
SCHEMBL831336 0.79 KDM4E (0.55) CA12CA1CA2CA9CNR2
SCHEMBL1369749 0.76 CA12 (0.58) CA12CA1CA2CA9CNR2
SCHEMBL1573191 0.76 CA12 (0.58) CA12CA1CA2CA9CNR2
SCHEMBL1366644 0.76 CA12 (0.58) CA12CA1CA2CA9CNR2
SCHEMBL11337793 0.75 CA12 (0.62) CA12CA1CA2CA9CNR2
SCHEMBL11622415 0.75 CNR2 (0.71) CA12CA1CA2CA9CNR2
SCHEMBL830436 0.74 CA12 (0.55) CA12CA1CA2CA9CNR2

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 5 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

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 3859/4885CA2 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.