SCHEMBL3869306

SCHEMBL3869306

Cc1ccc(S(=O)(=O)N(C(=O)C2CS(=O)(=O)CCN2)[C@@H](Cc2ccc(OC(=O)N3CCS(=O)(=O)CC3)cc2)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPY2R P49146 2/20 0.33
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
BMP1 P13497 1/20 0.32
LMNA P02545 1/20 0.32
MMP13 P45452 1/20 0.32
STAT3 P40763 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL3872663 0.95 P2RX7 (0.37) P2RX7MEN1KMT2ANPY2RALDH1A1
SCHEMBL3869878 0.94 CYP1A2 (0.41) P2RX7MEN1KMT2ANPY2RALDH1A1
SCHEMBL3870610 0.94 P2RX7 (0.37) P2RX7NPY2RBMP1MMP13ALOX15
SCHEMBL5655126 0.91 CYP2C9 (0.39) P2RX7MEN1KMT2ANPY2RL3MBTL1
SCHEMBL3870071 0.88 P2RX7 (0.32) P2RX7MEN1KMT2AALDH1A1LMNA
SCHEMBL3872421 0.88 P2RX7 (0.36) P2RX7MEN1KMT2ANPY2RALDH1A1
SCHEMBL3870515 0.85 P2RX7 (0.34) P2RX7MEN1KMT2AALDH1A1LMNA
SCHEMBL3868793 0.84 CYP2C9 (0.43) MEN1KMT2ANPY2RALDH1A1L3MBTL1
SCHEMBL3869702 0.82 MAPT (0.34) MEN1KMT2A
SCHEMBL3868580 0.82 POLB (0.32) P2RX7MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000051-B1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2004-05-19 EP claimed
US-7605166-B2 Synergistic mixture of methotrexate and integrin antigen or antibody ELAN PHARMACEUTICALS INC. (US) 2009-10-20 US disclosed
EP-2091933-A1 DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2009-08-26 EP 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
WO-2008073943-A1 DIHYDROBENZOFURANYL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO disclosed
US-7320960-B2 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-7229970-B2 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
US-20060004019-A1 Steroid sparing agents and methods of using same BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2006-01-05 US disclosed
US-20050222119-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 WYETH 2005-10-06 US disclosed
US-20050215565-A1 Composition for and treatment of demyelinating diseases and paralysis by administration of remyelinating agents BIOGEN MA INC. 2005-09-29 US disclosed
US-6900179-B2 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2005-05-31 US disclosed
US-20050069541-A1 Composition for and treatment of demyelinating diseases and paralysis by administration of remyelinating agents BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2005-03-31 US disclosed
US-20050065192-A1 Methods and compositions for treating rheumatoid arthritis ELAN PHARMACEUTICALS, INC. (US) 2005-03-24 US disclosed
EP-1452532-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 Elan Pharmaceuticals, Inc. (US) 2004-09-01 EP disclosed
EP-1000051-B1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2004-05-19 EP disclosed
US-20040014677-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2004-01-22 US disclosed
US-6525026-B2 Antiinflammatory agents; cardiovascular disorders; rheumatic diseases ELAN PHARMACEUTICALS, INC. 2003-02-25 US disclosed
US-20030017993-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 WYETH 2003-01-23 US disclosed
US-20020193312-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2002-12-19 US disclosed
US-6489300-B1 INHIBITORS OF ADHESION IN THE TREATMENT OF INFLAMMATORY BRAIN DISEASES AND OTHER INFLAMMATORY CONDITIONS ELAN PHARMACEUTICALS, INC. 2002-12-03 US 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 (8 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 P2RX7 4659/4885MEN1 1753/4885KMT2A 760/4885
US-20020193312-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, L1CAM P2RX7 4659/4885MEN1 1753/4885KMT2A 760/4885
US-20040014677-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 P2RX7 4471/4885MEN1 1647/4885KMT2A 1130/4885
US-20050215565-A1 Composition for and treatment of demyelinating diseases and paralysis by administration of remyelinating agents MAG, PMP22, GAP43 P2RX7 727/4885MEN1 3511/4885KMT2A 3927/4885
US-20050069541-A1 Composition for and treatment of demyelinating diseases and paralysis by administration of remyelinating agents MAG, PMP22, GAP43 P2RX7 727/4885MEN1 3511/4885KMT2A 3927/4885
US-20060004019-A1 Steroid sparing agents and methods of using same IL5, FCER2, CD40 P2RX7 2510/4885MEN1 1809/4885KMT2A 1388/4885
US-20050222119-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, L1CAM P2RX7 4659/4885MEN1 1753/4885KMT2A 760/4885
US-20050065192-A1 Methods and compositions for treating rheumatoid arthritis VCAM1, ICAM1, ITGA4 P2RX7 1115/4885MEN1 3588/4885KMT2A 2102/4885

“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.