SCHEMBL868540

SCHEMBL868540

NS(=O)(=O)Oc1ccccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
ALDH1A1 P00352 7/20 0.52
HPGD P15428 6/20 0.52
HSD17B10 Q99714 6/20 0.52
HMGB1 P09429 2/20 0.52
NAPRT Q6XQN6 2/20 0.52
ESR1 P03372 1/20 0.52
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
TSHR P16473 1/20 0.52
GGT1 P19440 1/20 0.52
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
BLM P54132 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HTT P42858 2/20 0.51
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
MAPT P10636 2/20 0.50

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
SCHEMBL27134697 0.84 STS (0.64) KDM4EALDH1A1HPGDHSD17B10CA1
Hydrazine SCHEMBL9315732 0.83 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10HMGB1
SCHEMBL27132922 0.83 STS (0.51) KDM4EALDH1A1CA1CA2CA9
SCHEMBL26647 0.82 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10HMGB1
SCHEMBL27029727 0.82 STS (0.62) KDM4EALDH1A1HPGDHSD17B10CA1
SCHEMBL27029738 0.81 STS (0.50) KDM4EALDH1A1CA1CA2CA9
SCHEMBL8769958 0.81 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10HMGB1
SCHEMBL291628 0.81 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10HMGB1
Ammonia Solution, Strong SCHEMBL10686252 0.81 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10HMGB1
SCHEMBL19122203 0.81 ELANE (0.53) KDM4EALDH1A1HPGDHSD17B10HMGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077711-A1 Novel Ligands and Libraries of Ligands SUNESIS PHARMACEUTICALS, INC. (US) 2012-03-29 US disclosed
EP-1939625-A2 Methods for ligand discovery Sunesis Pharmaceuticals, Inc. (US) 2008-07-02 EP disclosed
US-6998233-B2 Methods for ligand discovery SUNESIS PHARMACEUTICALS, INC. (US) 2006-02-14 US disclosed
US-20050287596-A9 Novel ligands and libraries of ligands SUNESIS PHARMACEUTICALS, INC. 2005-12-29 US disclosed
US-20050142614-A1 Methods for ligand discovery WELLS JIM (US) 2005-06-30 US disclosed
EP-1446496-A4 METHODS FOR LIGAND DISCOVERY SUNESIS PHARMACEUTICALS INC (US) 2005-03-30 EP disclosed
EP-1446496-A2 METHODS FOR LIGAND DICOVERY Sunesis Pharmaceuticals, Inc. (US) 2004-08-18 EP disclosed
EP-1421063-A1 DISULFIDE AND THIOSULFONATE LIGANDS AND LIBRARIES COMPRISING THESE LIGANDS Sunesis Pharmaceuticals, Inc. (US) 2004-05-26 EP disclosed
US-20040043426-A1 Methods for ligand discovery WELLS JIM (US) 2004-03-04 US disclosed
WO-2003046200-A2 METHODS FOR LIGAND DISCOVERY SUNESIS PHARMACEUTICALS, INC. (US) 2003-06-05 WO disclosed
WO-2003014072-A1 DISULFIDE AND THIOSULFONATE LIGANDS AND LIBRARIES COMPRISING THESE LIGANDS SUNESIS PHARMACEUTICALS, INC. (US) 2003-02-20 WO disclosed
US-20030013125-A1 Novel ligands and libraries of ligands BRAISTED ANDREW C (US) 2003-01-16 US disclosed
US-20020155505-A1 Methods for ligand discovery SUNESIS PHARMACEUTICALS, INC. 2002-10-24 US disclosed
US-5273993-A Antiarthritic agents; osteoporosis A. H. ROBINS COMPANY, INCORPORATED (US) 1993-12-28 US disclosed
US-5194446-A Antiarthritic agents A. H. ROBINS COMPANY, INCORPORATED (US) 1993-03-16 US disclosed
US-5025031-A Aryl and aryloxyalkyl sulfamate esters useful as anticonvulsants A. H. ROBINS CO., INC. (US) 1991-06-18 US disclosed
EP-0403185-A2 Compounds having one or more aminosulfonyloxy radicals useful as pharmaceuticals A.H. ROBINS COMPANY, INCORPORATED (US) 1990-12-19 EP 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 (5 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-20040043426-A1 Methods for ligand discovery ADGRF1, VCAM1, LDLR KDM4E 3156/4885ALDH1A1 1677/4885HPGD 2782/4885
US-20020155505-A1 Methods for ligand discovery ADGRF1, VCAM1, LDLR KDM4E 3156/4885ALDH1A1 1677/4885HPGD 2782/4885
US-20050287596-A9 Novel ligands and libraries of ligands LSS, ABCG2, SELL KDM4E 4640/4885ALDH1A1 533/4885HPGD 2879/4885
US-20120077711-A1 Novel Ligands and Libraries of Ligands LSS, ABCG2, SELL KDM4E 4640/4885ALDH1A1 533/4885HPGD 2879/4885
US-20030013125-A1 Novel ligands and libraries of ligands LSS, ABCG2, SELL KDM4E 4734/4885ALDH1A1 400/4885HPGD 3463/4885

“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.