SCHEMBL829624

SCHEMBL829624

CCOc1cccc2cc(S(=O)(=O)CC(=O)/C=C/c3ccc(OC)cc3)c(=O)sc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.45
GSK3B P49841 1/20 0.41
MAOB P27338 3/20 0.41
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
PLIN1 O60240 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PLIN5 Q00G26 1/20 0.40
KMT2A Q03164 1/20 0.40
ABHD5 Q8WTS1 1/20 0.40
TOP2A P11388 2/20 0.39
NPC1 O15118 2/20 0.38
HTT P42858 1/20 0.37
PADI4 Q9UM07 1/20 0.37
GAA P10253 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL830747 1.00 MAOA (0.45) MAOAGSK3BMAOBRAB9AKDM4E
SCHEMBL829625 1.00 MAOA (0.45) MAOAGSK3BMAOBRAB9AKDM4E
SCHEMBL831287 0.84 MAOA (0.41) MAOAMAOBRAB9AKDM4EALDH1A1
SCHEMBL830221 0.84 MAOA (0.41) MAOAMAOBRAB9AKDM4EALDH1A1
SCHEMBL830222 0.84 MAOA (0.41) MAOAMAOBRAB9AKDM4EALDH1A1
SCHEMBL1369133 0.83 GSK3B (0.49) MAOAGSK3BMAOBRAB9AKDM4E
SCHEMBL1367659 0.83 GSK3B (0.49) MAOAGSK3BMAOBRAB9AKDM4E
SCHEMBL1367660 0.83 GSK3B (0.49) MAOAGSK3BMAOBRAB9AKDM4E
SCHEMBL830323 0.82 MAOA (0.59) MAOAMAOBRAB9AKDM4EALDH1A1
SCHEMBL830860 0.82 MAOA (0.59) MAOAMAOBRAB9AKDM4EALDH1A1

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 MAOA 4650/4885GSK3B 4646/4885MAOB 4108/4885

“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.