SCHEMBL3851373

SCHEMBL3851373

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
P2RX7 Q99572 2/20 0.40
MMP2 P08253 1/20 0.39
ADAM17 P78536 1/20 0.39
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
PTGES O14684 1/20 0.38
BCL2 P10415 1/20 0.38
ACHE P22303 1/20 0.38
GAA P10253 1/20 0.38

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 0.88 KMT2A (0.46) MAPK1KMT2ALMNAKDM4EHSD17B10
SCHEMBL3858034 0.88 MAPK1 (0.48) MAPK1KMT2ALMNAKDM4EHSD17B10
SCHEMBL3856996 0.86 P2RX7 (0.48) MAPK1KMT2AP2RX7ITGB1ITGA4
SCHEMBL3851225 0.85 P2RX7 (0.46) MAPK1KMT2ARAB9AP2RX7
SCHEMBL3859687 0.85 CYP2C9 (0.47) MAPK1KMT2ALMNARAB9AP2RX7
SCHEMBL3859375 0.84 P2RX7 (0.45) MAPK1KMT2ARAB9AP2RX7
SCHEMBL4412738 0.84 P2RX7 (0.40) MAPK1KMT2AKDM4ERAB9AP2RX7
SCHEMBL5850329 0.82 ITGB1 (0.41) P2RX7ITGB1ITGA4PTGESBCL2
SCHEMBL3859090 0.78 HCRTR1 (0.44) KMT2ALMNASMN1; SMN2ITGB1ITGA4
SCHEMBL3855808 0.77 ITGA4 (0.52) MAPK1ITGB1ITGA4GAA

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 49 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
US-7320960-B2 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2008-01-22 US 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-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
US-20050215565-A1 Composition for and treatment of demyelinating diseases and paralysis by administration of remyelinating agents BIOGEN MA INC. 2005-09-29 US claimed
US-6900179-B2 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2005-05-31 US claimed
US-20050065192-A1 Methods and compositions for treating rheumatoid arthritis ELAN PHARMACEUTICALS, INC. (US) 2005-03-24 US claimed
EP-1452532-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 Elan Pharmaceuticals, Inc. (US) 2004-09-01 EP claimed
WO-2004066931-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARMACEUTICALS INC. (US) 2004-08-12 WO 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
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-7605166-B2 Synergistic mixture of methotrexate and integrin antigen or antibody ELAN PHARMACEUTICALS INC. (US) 2009-10-20 US disclosed
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 disclosed
EP-0954519-A1 ALPHA-9 INTEGRIN ANTAGONISTS AND ANTI-INFLAMMATORY COMPOSITIONS THEROF ATHENA NEUROSCIENCES, INC. (US) 1999-11-10 EP disclosed
WO-1999006391-A1 ALPHA-9 INTEGRIN ANTAGONISTS AND ANTI-INFLAMMATORY COMPOSITIONS THEROF ATHENA NEUROSCIENCES, INC. (US) 1999-02-11 WO disclosed
WO-1999006390-A1 CARBAMYLOXY 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 (6 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 760/4885LMNA 3823/4885
US-20020193312-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, L1CAM MAPK1 2355/4885KMT2A 760/4885LMNA 3823/4885
US-20040014677-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 MAPK1 2395/4885KMT2A 1130/4885LMNA 3926/4885
US-20050215565-A1 Composition for and treatment of demyelinating diseases and paralysis by administration of remyelinating agents MAG, PMP22, GAP43 MAPK1 2615/4885KMT2A 3927/4885LMNA 1415/4885
US-20050222119-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, L1CAM MAPK1 2355/4885KMT2A 760/4885LMNA 3823/4885
US-20050065192-A1 Methods and compositions for treating rheumatoid arthritis VCAM1, ICAM1, ITGA4 MAPK1 2645/4885KMT2A 2102/4885LMNA 3216/4885

“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.