SCHEMBL830862

SCHEMBL830862

COc1ccc(/C=C/S(=O)(=O)c2cc3ccccc3[nH]c2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 3/20 0.60
KDM4E B2RXH2 7/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
HIF1A Q16665 1/20 0.47
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ASAH1 Q13510 1/20 0.44
NFE2L2 Q16236 2/20 0.44
PPARG P37231 1/20 0.44
CNR1 P21554 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PDGFRB P09619 1/20 0.43

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
SCHEMBL829532 1.00 PADI4 (0.60) PADI4KDM4ELMNAALDH1A1MAPT
SCHEMBL829533 1.00 PADI4 (0.60) PADI4KDM4ELMNAALDH1A1MAPT
SCHEMBL831377 0.85 PADI4 (0.54) PADI4KDM4ELMNAALDH1A1MAPT
SCHEMBL831378 0.85 PADI4 (0.54) PADI4KDM4ELMNAALDH1A1MAPT
SCHEMBL830455 0.85 NFE2L2 (0.48) PADI4KDM4EMAPTNFE2L2PDGFRB
SCHEMBL830854 0.85 NFE2L2 (0.48) PADI4KDM4EMAPTNFE2L2PDGFRB
SCHEMBL830456 0.85 NFE2L2 (0.48) PADI4KDM4EMAPTNFE2L2PDGFRB
SCHEMBL831818 0.84 KDM4E (0.48) PADI4KDM4ELMNAALDH1A1MAPT
SCHEMBL830968 0.84 KDM4E (0.48) PADI4KDM4ELMNAALDH1A1MAPT
SCHEMBL830969 0.84 KDM4E (0.48) PADI4KDM4ELMNAALDH1A1MAPT

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 PADI4 2944/4885KDM4E 1593/4885LMNA 2758/4885

“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.