SCHEMBL829263

SCHEMBL829263

COc1ccc(CS(=O)(=O)c2cc3ccc(O)cc3oc2=O)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.45
ERAP1 Q9NZ08 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 2/20 0.45
TLR9 Q9NR96 1/20 0.45
MIF P14174 2/20 0.43
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 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
SCHEMBL830580 0.89 CA12 (0.52) ALDH1A1KMT2AMEN1HTTLMNA
SCHEMBL831230 0.81 SMN1; SMN2 (0.41) TDP1ALDH1A1KMT2AMEN1HTT
SCHEMBL831128 0.80 MIF (0.58) ATMERAP1TDP1NPC1MIF
SCHEMBL830302 0.80 ALDH1A1 (0.40) ALDH1A1HTTSMN1; SMN2LMNAGAA
SCHEMBL1367892 0.80 MEN1 (0.52) ATMERAP1TDP1NPC1TLR9
SCHEMBL830099 0.72 TXNRD1 (0.42) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL830873 0.71 ALDH1A1 (0.43) TDP1ALDH1A1KMT2AMEN1HTT
SCHEMBL830990 0.71 GFER (0.45) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL831771 0.71 TXNRD1 (0.43) ALDH1A1KMT2AMEN1HTTSMN1; SMN2
SCHEMBL861322 0.71 TXNRD1 (0.43) ALDH1A1HTTSMN1; SMN2LMNAGAA

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 ATM 2392/4885ERAP1 4281/4885TDP1 3195/4885

“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.