SCHEMBL5573305

SCHEMBL5573305

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.45
POLB P06746 2/20 0.45
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
FPR2 P25090 2/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGES O14684 1/20 0.42

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
SCHEMBL27514797 1.00 ACE (0.45) ACEPOLBCA9CA12CA1
SCHEMBL27534943 0.82 POLB (0.50) ACEPOLBALDH1A1MAPTKMT2A
SCHEMBL5570713 0.82 POLB (0.50) ACEPOLBALDH1A1MAPTKMT2A
SCHEMBL27541181 0.81 NPSR1 (0.48) ACEPOLBCA9CA1CA2
SCHEMBL5850598 0.81 NPSR1 (0.48) ACEPOLBCA9CA1CA2
SCHEMBL5572779 0.77 PLAU (0.61) POLBCA9CA12CA2GAA
SCHEMBL975460 0.77 CA9 (0.73) CA9CA12CA1CA2CA5A
SCHEMBL7416062 0.76 MME (0.47) ACEALDH1A1
SCHEMBL7416066 0.76 MME (0.47) ACEALDH1A1
Phenylalanine SCHEMBL3853573 0.76 PKM (0.46) POLBCA9CA12CA1CA2

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 ACE 1912/4885POLB 3968/4885CA9 2934/4885

“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.