SCHEMBL2210358

SCHEMBL2210358

COC(=O)CS(=O)(=O)Nc1ccc(OC)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.56
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
MAPT P10636 3/20 0.52
POLB P06746 3/20 0.50
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.48
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL18437704 0.91 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL2212133 0.90 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL14799054 0.83 SMN1; SMN2 (0.55) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL2210355 0.81 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL18437636 0.78 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL18438128 0.76 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTPOLB
Sulfuric Acid SCHEMBL20984829 0.75 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL3322371 0.75 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL17978495 0.74 FFAR4 (0.66) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL14383794 0.74 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AMAPTPOLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534284-B1 AMINO-SUBSTITUTED SULFONANILIDES AND DERIVATIVES THEREOF FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2011-07-27 EP disclosed
US-7161031-B2 Amino-substituted sulfonanilides and derivatives thereof for treating proliferative disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-01-09 US disclosed
EP-1534284-A4 AMINO-SUBSTITUTED SULFONANILIDES AND DERIVATIVES THEREOF FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2006-08-16 EP disclosed
EP-1534284-A2 AMINO-SUBSTITUTED SULFONANILIDES AND DERIVATIVES THEREOF FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2005-06-01 EP disclosed
US-20050096484-A1 Amino-substituted sulfonanilides and derivatives thereof for treating proliferative disorders ONCONOVA THERAPEUTICS, INC. 2005-05-05 US disclosed
WO-2003072063-A2 AMINO-SUBSTITUTED SULFONANILIDES AND DERIVATIVES THEREOF FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2003-09-04 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-20050096484-A1 Amino-substituted sulfonanilides and derivatives thereof for treating proliferative disorders ARSA, MKI67, CCNA1 ALDH1A1 1651/4885MEN1 1780/4885KMT2A 913/4885

“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.