SCHEMBL4550561

SCHEMBL4550561

CC(C)OC(=O)C(Cc1ccccc1)NOC(=O)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP14 P50281 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ATM Q13315 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
RAB9A P51151 2/20 0.40
ANPEP P15144 1/20 0.40
NPC1 O15118 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40

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
SCHEMBL4550562 1.00 MMP9 (0.44) MMP9MMP8MMP14TSHRALDH1A1
SCHEMBL8065032 0.85 MMP8 (0.50) MMP9MMP8MMP14ALDH1A1HSD17B10
SCHEMBL8065025 0.85 MMP8 (0.50) MMP9MMP8MMP14ALDH1A1HSD17B10
SCHEMBL4443858 0.85 MMP9 (0.49) MMP9MMP8MMP14
SCHEMBL4443855 0.85 MMP9 (0.49) MMP9MMP8MMP14
SCHEMBL2853138 0.83 ITGA4 (0.53) MMP9ALDH1A1CYP2C9CYP2C19ATM
SCHEMBL2853134 0.83 ITGA4 (0.53) MMP9ALDH1A1CYP2C9CYP2C19ATM
SCHEMBL15497675 0.80 TSHR (0.50) TSHRALDH1A1THRBCYP2C9CYP2C19
SCHEMBL8047919 0.80 ITGA4 (0.46) MMP9MMP8MMP14ALDH1A1THRB
SCHEMBL25100758 0.79 TSHR (0.51) TSHRALDH1A1THRBCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592387-A4 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARM INC (US) 2009-05-06 EP disclosed
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 disclosed
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 disclosed
EP-1592387-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS Elan Pharmaceuticals, Inc. (US) 2005-11-09 EP disclosed
WO-2004066932-A2 COMPOSITION FOR AND TREATMENT OF DEMYELINATING DISEASES AND PARALYSIS BY ADMINISTRATION OF REMYELINATING AGENTS ELAN PHARMACEUTICALS INC. (US) 2004-08-12 WO disclosed
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 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
EP-1000051-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-17 EP 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 (1 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-20040014677-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 MMP9 1403/4885MMP8 395/4885MMP14 1018/4885

“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.