SCHEMBL3858034

SCHEMBL3858034

Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
ITGB1 P05556 7/20 0.47
ITGA4 P13612 7/20 0.47
LMNA P02545 2/20 0.44
PTGES O14684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 1/20 0.43
MMP2 P08253 1/20 0.42
ADAM17 P78536 1/20 0.42
CA2 P00918 1/20 0.42
POLB P06746 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
SCHEMBL3849830 0.89 KMT2A (0.46) MAPK1KMT2AITGB1ITGA4LMNA
SCHEMBL3851373 0.88 MAPK1 (0.45) MAPK1KMT2AITGB1ITGA4LMNA
SCHEMBL30699961 0.86 CA1 (0.54) MAPK1KMT2AITGB1ITGA4LMNA
SCHEMBL5572753 0.85 SMN1; SMN2 (0.55) MAPK1KMT2AITGB1ITGA4LMNA
SCHEMBL5573302 0.85 KMT2A (0.47) MAPK1KMT2AITGB1ITGA4LMNA
SCHEMBL4418816 0.84 ITGB1 (0.54) MAPK1KMT2AITGB1ITGA4KDM4E
SCHEMBL3850947 0.84 ITGB3 (0.45) MAPK1KMT2AITGB1ITGA4TDP1
SCHEMBL4958116 0.83 ITGB1 (0.44) ITGB1ITGA4PTGESTDP1ADAM17
SCHEMBL4551968 0.83 CYP2C9 (0.50) MAPK1KMT2AITGB1ITGA4KDM4E
SCHEMBL3859709 0.83 ITGB1 (0.44) MAPK1KMT2AITGB1ITGA4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576101-B2 Using sulfonamides such as N-[N-(3-pyridinesulfonyl)-L-3,3-dimethyl-4-thiaprolyl]-O-[1-methylpiperazin-4-ylcarbonyl]-L-tyrosine isopropyl ester optionally with immunoglobulins, steroids, antiinflammatory agents ELAN PHARMACEUTICALS, INC. (US) 2009-08-18 US claimed
EP-1635822-A4 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARM INC (US) 2009-06-24 EP claimed
US-7320960-B2 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2008-01-22 US claimed
JP-2007526230-A 2007-09-13 JP claimed
EP-1592386-A4 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARM INC (US) 2007-06-13 EP claimed
US-7229970-B2 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-06-12 US claimed
EP-1635822-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP claimed
US-20050272668-A1 Anti-inflammatory compositions and methods BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2005-12-08 US claimed
EP-1592386-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS Elan Pharmaceuticals, Inc. (US) 2005-11-09 EP claimed
US-20050222119-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 WYETH 2005-10-06 US claimed
EP-1000051-B1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2004-05-19 EP claimed
US-20040014677-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2004-01-22 US claimed
EP-0954519-B1 ALPHA-9 INTEGRIN ANTAGONISTS AND ANTI-INFLAMMATORY COMPOSITIONS THEROF ATHENA NEUROSCIENCES INC (US) 2003-04-02 EP claimed
US-20030017993-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 WYETH 2003-01-23 US claimed
US-20020193312-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2002-12-19 US claimed
US-20020039745-A1 ANTI-INFLAMMATORY COMPOSITIONS AND METHOD WYETH 2002-04-04 US claimed
EP-1000051-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-17 EP claimed
EP-0954519-A1 ALPHA-9 INTEGRIN ANTAGONISTS AND ANTI-INFLAMMATORY COMPOSITIONS THEROF ATHENA NEUROSCIENCES, INC. (US) 1999-11-10 EP claimed
WO-1999006391-A1 ALPHA-9 INTEGRIN ANTAGONISTS AND ANTI-INFLAMMATORY COMPOSITIONS THEROF ATHENA NEUROSCIENCES, INC. (US) 1999-02-11 WO claimed
WO-1999006390-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20030017993-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, L1CAM MAPK1 2355/4885KMT2A 760/4885ITGB1 64/4885
US-20020193312-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, L1CAM MAPK1 2355/4885KMT2A 760/4885ITGB1 64/4885
US-20040014677-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 MAPK1 2395/4885KMT2A 1130/4885ITGB1 70/4885
US-20050222119-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, L1CAM MAPK1 2355/4885KMT2A 760/4885ITGB1 64/4885

“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.