SCHEMBL829636

SCHEMBL829636

O=C(O)CS(=O)(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 16/20 0.50
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
AKR1B10 O60218 1/20 0.47
AKR1B1 P15121 1/20 0.47
SLC25A1 P53007 1/20 0.45

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
SCHEMBL10389338 0.87 VCAM1 (0.56) VCAM1ALDH1A1KDM4EPOLB
SCHEMBL18480794 0.84 CA12 (0.53) ALDH1A1KDM4EPOLB
SCHEMBL2338516 0.81 HSD11B1 (0.45)
SCHEMBL498467 0.80 ALDH1A1 (0.52) ALDH1A1
SCHEMBL2651409 0.79 VCAM1 (0.56) VCAM1ALDH1A1KDM4EPOLBAKR1B10
SCHEMBL1865348 0.79 VCAM1 (0.56) VCAM1ALDH1A1KDM4EPOLBAKR1B10
SCHEMBL6781842 0.79 VCAM1 (0.54) VCAM1ALDH1A1KDM4EPOLB
SCHEMBL831223 0.77 MMP12 (0.39) ALDH1A1KDM4EPOLB
SCHEMBL8781357 0.77 VCAM1 (0.53) VCAM1ALDH1A1KDM4EPOLBAKR1B10
SCHEMBL3166376 0.76 HSD11B1 (0.50) ALDH1A1

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 2 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 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 VCAM1 3903/4885ALDH1A1 1141/4885KDM4E 1593/4885

“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.