SCHEMBL5570713

SCHEMBL5570713

COC(=O)c1ccccc1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
MME P08473 6/20 0.47
ACE P12821 3/20 0.47
CPA1 P15085 3/20 0.47
ACE2 Q9BYF1 3/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 2/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MMP2 P08253 5/20 0.44
MMP9 P14780 4/20 0.44
ADAMTS4 O75173 1/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL27534943 1.00 POLB (0.50) POLBMMEACECPA1ACE2
SCHEMBL7416059 0.86 MME (0.45) MMEACECPA1ACE2ALDH1A1
SCHEMBL7416053 0.86 MME (0.45) MMEACECPA1ACE2ALDH1A1
SCHEMBL7416066 0.83 MME (0.47) MMEACECPA1ACE2ALDH1A1
SCHEMBL7416062 0.83 MME (0.47) MMEACECPA1ACE2ALDH1A1
SCHEMBL27514797 0.82 ACE (0.45) POLBACEALDH1A1MAPTKMT2A
SCHEMBL5573305 0.82 ACE (0.45) POLBACEALDH1A1MAPTKMT2A
SCHEMBL27541181 0.81 NPSR1 (0.48) POLBMMEACEACE2ALDH1A1
SCHEMBL5850598 0.81 NPSR1 (0.48) POLBMMEACEACE2ALDH1A1
SCHEMBL16465226 0.80 FPR2 (0.51) MMEACECPA1ACE2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166580-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-01-23 US claimed
US-20030166575-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN MA INC. 2003-09-04 US claimed
EP-1001973-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP claimed
WO-1999006433-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
US-7166580-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-01-23 US disclosed
US-20030166575-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN MA INC. 2003-09-04 US disclosed
US-6559127-B1 Intercellular adhesion mediated by VLA-4 and other cell surface receptors is associated with a number of inflammatory responses ATHENA NEUROSCIENCES, INC. 2003-05-06 US disclosed
CN-1265669-A Compounds that inhibit leukocyte adhesion mediated by VLA-4 ELAND PHARMACEUTICALS CO (US) 2000-09-06 CN disclosed
EP-1001973-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
WO-1999006433-A1 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-20030166575-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 POLB 3968/4885MME 1315/4885ACE 1912/4885

“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.