SCHEMBL3851010

SCHEMBL3851010

CC1(C)CS[C@@H](C(=O)N([C@@H](Cc2ccc(OC(=O)N3CCN(c4ccccn4)CC3)c(Cl)c2)C(=O)O)S(=O)(=O)c2ccc(F)cc2)N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.37
KDM4E B2RXH2 9/20 0.36
HSD17B10 Q99714 5/20 0.36
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
P2RX7 Q99572 1/20 0.35
PKM P14618 2/20 0.35
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
LMNA P02545 4/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HTT P42858 2/20 0.34
HCRTR1 O43613 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6450077 0.93 MEN1 (0.36) ADRB2KDM4EHSD17B10ALDH1A1MEN1
SCHEMBL6461059 0.93 ADRB2 (0.35) ADRB2KDM4EHSD17B10ALDH1A1MEN1
SCHEMBL4552577 0.89 ITGB1 (0.34) KDM4EALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL3853401 0.88 KDM4E (0.35) ADRB2KDM4EHSD17B10ALDH1A1MEN1
SCHEMBL4413794 0.88 ALDH1A1 (0.36) ADRB2KDM4EHSD17B10ALDH1A1MEN1
SCHEMBL3851991 0.88 HRH1 (0.32) SMN1; SMN2
SCHEMBL5189897 0.85 HSD17B10 (0.45) ADRB2KDM4EHSD17B10ALDH1A1MEN1
SCHEMBL3851048 0.84 P2RX7 (0.39) ADRB2KDM4EHSD17B10ALDH1A1MEN1
SCHEMBL5610454 0.83
SCHEMBL8059187 0.83 ALDH1A1 (0.35) ADRB2KDM4EHSD17B10ALDH1A1MEN1

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 47 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
EP-1635822-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS Elan Pharmaceuticals, Inc. (US) 2006-03-22 EP 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-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-20050065192-A1 Methods and compositions for treating rheumatoid arthritis ELAN PHARMACEUTICALS, INC. (US) 2005-03-24 US claimed
WO-2005000246-A2 METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS ELAN PHARMACEUTICALS, INC. (US) 2005-01-06 WO 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-6489300-B1 INHIBITORS OF ADHESION IN THE TREATMENT OF INFLAMMATORY BRAIN DISEASES AND OTHER INFLAMMATORY CONDITIONS ELAN PHARMACEUTICALS, INC. 2002-12-03 US claimed
US-7605166-B2 Synergistic mixture of methotrexate and integrin antigen or antibody ELAN PHARMACEUTICALS INC. (US) 2009-10-20 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 (5 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 ADRB2 2693/4885KDM4E 637/4885HSD17B10 1981/4885
US-20020193312-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, L1CAM ADRB2 2693/4885KDM4E 637/4885HSD17B10 1981/4885
US-20040014677-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 ADRB2 2756/4885KDM4E 580/4885HSD17B10 1582/4885
US-20050215565-A1 Composition for and treatment of demyelinating diseases and paralysis by administration of remyelinating agents MAG, PMP22, GAP43 ADRB2 2397/4885KDM4E 3822/4885HSD17B10 4785/4885
US-20050065192-A1 Methods and compositions for treating rheumatoid arthritis VCAM1, ICAM1, ITGA4 ADRB2 1567/4885KDM4E 777/4885HSD17B10 4479/4885

“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.