SCHEMBL259382

SCHEMBL259382

Cc1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA9 Q16790 1/20 0.66
IL1RN P18510 1/20 0.66
KEAP1 Q14145 1/20 0.66
ERAP1 Q9NZ08 1/20 0.66
HTR6 P50406 3/20 0.65
GAA P10253 3/20 0.64
HPGD P15428 2/20 0.64
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
ALDH1A1 P00352 3/20 0.61
PKM P14618 1/20 0.61
LMNA P02545 2/20 0.61
HTT P42858 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MAPT P10636 1/20 0.61
XBP1 P17861 1/20 0.61
FFAR4 Q5NUL3 1/20 0.59

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
SCHEMBL31681311 1.00 CA12 (0.66) CA12CA1CA2CA9IL1RN
SCHEMBL15045213 0.91 KMT2A (0.71) GAAHPGDMEN1KMT2AALDH1A1
SCHEMBL14125611 0.90 CA12 (0.63) CA12CA1CA2CA9HTR6
SCHEMBL2665022 0.89 KMT2A (0.73) CA12CA1CA2CA9IL1RN
SCHEMBL3701951 0.89 CA12 (0.71) CA12CA1CA2CA9GAA
SCHEMBL9001184 0.87 KEAP1 (0.79) IL1RNKEAP1ERAP1HTR6GAA
SCHEMBL23057261 0.86 IDO1 (0.72) CA12CA1CA2CA9HTR6
SCHEMBL1592806 0.85 LMNA (0.60) CA12CA1CA2CA9GAA
SCHEMBL14582133 0.85 KMT2A (0.72) CA12CA1CA2CA9GAA
SCHEMBL13875341 0.85 L3MBTL1 (0.67) CA12CA1CA2CA9GAA

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US claimed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US claimed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 US claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
EP-2236497-B1 Colored curable composition, method for producing color filter, color filter, solid-state image pickup device, and liquid crystal display device FUJIFILM CORP (JP) 2019-05-01 EP disclosed
WO-2017184589-A1 A VERSATILE LIGAND FOR PALLADIUM-CATALYZED META-C-H FUNCTIONALIZATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2017-10-26 WO disclosed
EP-1773786-B1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-04-26 EP disclosed
US-9394261-B2 Aryl amine substituted pyrimidine and quinazoline and their use as anticancer drugs NATIONAL YANG-MING UNIVERSITY (TW) 2016-07-19 US disclosed
US-20150246891-A1 ARYL AMINE SUBSTITUTED PYRIMIDINE AND QUINAZOLINE AND THEIR USE AS ANTICANCER DRUGS NATIONAL TAIWAN UNIVERSITY (TW) 2015-09-03 US disclosed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP disclosed
US-6284764-B1 ANTIPROLIFERATIVE AGENT PFIZER INC. 2001-09-04 US disclosed
WO-2000044728-A1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2000-08-03 WO disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 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 (3 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-20150246891-A1 ARYL AMINE SUBSTITUTED PYRIMIDINE AND QUINAZOLINE AND THEIR USE AS ANTICANCER DRUGS EGFR, ERBB4, ERBB2 CA12 4571/4885CA1 4734/4885CA2 4640/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM CA12 1927/4885CA1 2142/4885CA2 2844/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM CA12 1927/4885CA1 2142/4885CA2 2844/4885

“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.