SCHEMBL6453971

SCHEMBL6453971

CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 20/20 0.62

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
SCHEMBL12462209 1.00 ITGA4 (0.62) ITGA4
SCHEMBL12166629 1.00 ITGA4 (0.62) ITGA4
SCHEMBL12446688 1.00 ITGA4 (0.62) ITGA4
SCHEMBL6742913 0.92 ITGA4 (0.61) ITGA4
SCHEMBL7263867 0.91 ITGA4 (0.56) ITGA4
SCHEMBL7110234 0.91 ITGA4 (0.56) ITGA4
SCHEMBL7115955 0.91 ITGA4 (0.56) ITGA4
SCHEMBL6743975 0.91 ITGA4 (0.60) ITGA4
SCHEMBL6740927 0.91 ITGA4 (0.60) ITGA4
SCHEMBL6742917 0.91 ITGA4 (0.55) ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309579-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-11-13 US disclosed
US-8309579-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-11-13 US disclosed
US-8198280-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-06-12 US disclosed
US-8198280-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-06-12 US disclosed
US-20110281891-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2011-11-17 US disclosed
US-20110281891-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF MERCK SERONO SA (CH) 2011-11-17 US disclosed
US-7998964-B2 hydroxy((2S)-2-{[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl}-4-methylpentyl)formamide ; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative disorders, stroke, cancer, pre-term labor, endometriosis MERCK SERONO S.A. (CH) 2011-08-16 US disclosed
US-7998964-B2 hydroxy((2S)-2-{[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl}-4-methylpentyl)formamide ; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative disorders, stroke, cancer, pre-term labor, endometriosis MERCK SERONO S.A. (CH) 2011-08-16 US disclosed
US-7973039-B2 3-(1,3-benzodioxol-5-yl)-1-({[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl}methyl)-2-propynyl(hydroxy)formamide; analgesics, anticarcinogenic agents, antiarthritic agents; matrix metalloproteinase inhhibitors MERCK SERONO SA (CH) 2011-07-05 US disclosed
US-7973039-B2 3-(1,3-benzodioxol-5-yl)-1-({[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl}methyl)-2-propynyl(hydroxy)formamide; analgesics, anticarcinogenic agents, antiarthritic agents; matrix metalloproteinase inhhibitors MERCK SERONO SA (CH) 2011-07-05 US disclosed
US-20080051397-A1 Benzothiazole Formulations and Use Thereof ARES TRADING S.A. (CH) 2008-02-28 US disclosed
US-20080051397-A1 Benzothiazole Formulations and Use Thereof ARES TRADING S.A. (CH) 2008-02-28 US disclosed
WO-2007060132-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2007-05-31 WO disclosed
WO-2007048788-A1 SULFONAMIDE DERIVATIVES AND USE THEREOF FOR THE MODULATION OF METALLOPROTEINASES LABORATOIRES SERONO S.A. (CH) 2007-05-03 WO disclosed
WO-2007009959-A1 GLEPP-1 INHIBITORS IN THE TREATMENT OF AUTOIMMUNE AND/OR INFLAMMATORY DISORDERS LABORATOIRES SERONO S.A. (CH) 2007-01-25 WO disclosed
WO-2006079653-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-08-03 WO disclosed
US-20050222193-A1 Novel combination for the treatment of airway disorders ALTANA PHARMA AG (DE) 2005-10-06 US disclosed
US-20050165041-A1 Combination for the treatment of airway disorders ALTANA PHARMA AG (DE) 2005-07-28 US disclosed
EP-1089989-A1 INHIBITORS OF ALPHA4BETA1 MEDIATED CELL ADHESION PHARMACIA & UPJOHN COMPANY (US) 2001-04-11 EP disclosed
WO-1999067230-A1 INHIBITORS OF α4β1 MEDIATED CELL ADHESION PHARMACIA & UPJOHN COMPANY (US) 1999-12-29 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-20080051397-A1 Benzothiazole Formulations and Use Thereof MGLL, MBOAT4, MBOAT1 ITGA4 4183/4885
US-20110281891-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD ITGA4 2314/4885

“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.