SCHEMBL5573156

SCHEMBL5573156

Cc1ccc(S(=O)(=O)N(C)[C@@H](CO)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.54
KEAP1 Q14145 4/20 0.51
NFE2L2 Q16236 4/20 0.51
ADAMTS5 Q9UNA0 1/20 0.50
KMT2A Q03164 1/20 0.46
PLAU P00749 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
MAPT P10636 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
ADAMTS4 O75173 1/20 0.44
ATM Q13315 1/20 0.43
C5AR1 P21730 1/20 0.42
MCL1 Q07820 1/20 0.42
PPARG P37231 1/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL17481680 0.88 AGER (0.54) AGERKEAP1NFE2L2ADAMTS5KMT2A
SCHEMBL5573297 0.82 ADAMTS5 (0.73) AGERKEAP1NFE2L2ADAMTS5KMT2A
SCHEMBL5573300 0.82 ADAMTS5 (0.73) AGERKEAP1NFE2L2ADAMTS5KMT2A
SCHEMBL16056475 0.82 AGER (0.53) AGERKEAP1NFE2L2ADAMTS5KMT2A
SCHEMBL10911759 0.79 AGER (0.59) AGERKEAP1NFE2L2CA12CA9
SCHEMBL5569667 0.77 ADAMTS5 (0.53) AGERKEAP1NFE2L2ADAMTS5KMT2A
SCHEMBL16058321 0.76 ADAMTS5 (0.52) AGERKEAP1NFE2L2ADAMTS5KMT2A
SCHEMBL21885547 0.76 ADAMTS5 (0.52) AGERKEAP1NFE2L2ADAMTS5KMT2A
Bromide SCHEMBL29831731 0.76 ADAMTS5 (0.51) AGERKEAP1NFE2L2ADAMTS5KMT2A
SCHEMBL14676567 0.74 ADAMTS5 (0.56) KEAP1NFE2L2ADAMTS5KMT2AADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409864-B2 Sulfonamide TRPA1 receptor antagonists ARIO PHARMA LIMITED (GB) 2016-08-09 US disclosed
US-20160024009-A1 Novel Sulfonamide TRPA1 Receptor Antagonists ARIO PHARMA LIMITED (GB) 2016-01-28 US disclosed
EP-2964615-A1 NOVEL SULFONAMIDE TRPA1 RECEPTOR ANTAGONISTS Ario Pharma Limited (GB) 2016-01-13 EP disclosed
WO-2014135617-A1 NOVEL SULFONAMIDE TRPA1 RECEPTOR ANTAGONISTS PHARMESTE S.R.L. IN LIQUIDATION (IT) 2014-09-12 WO disclosed
EP-2774919-A1 Novel sulfonamide TRPA1 receptor antagonists PHARMESTE S.R.L. IN LIQUIDAZIONE (IT) 2014-09-10 EP disclosed
US-7166580-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-01-23 US disclosed
US-20030166575-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN MA INC. 2003-09-04 US disclosed
US-6559127-B1 Intercellular adhesion mediated by VLA-4 and other cell surface receptors is associated with a number of inflammatory responses ATHENA NEUROSCIENCES, INC. 2003-05-06 US disclosed
US-6492421-B1 BINDING VERY LATE ANTIGEN-4; INFLAMMATORY DISEASES SUCH AS ASTHMA, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, AIDS, DEMENTIA, DIABETES, INFLAMMATORY BOWEL DISEASE, RHEUMATOID ARTHRITIS, TISSUE TRANSPLANTATION, TUMOR METASTASIS, MYOCARDIAL ISCHEMIA ATHENA NEUROSCIENCES, INC. 2002-12-10 US disclosed
EP-1001972-A1 SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
EP-1001973-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
WO-1999006433-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed
WO-1999006431-A1 SUBSTITUTED PHENYLALANINE TYPE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 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 (2 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-20160024009-A1 Novel Sulfonamide TRPA1 Receptor Antagonists TRPA1, TRPV1, TRPV2 AGER 1463/4885KEAP1 318/4885NFE2L2 941/4885
US-20030166575-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 AGER 625/4885KEAP1 3344/4885NFE2L2 3131/4885

“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.