SCHEMBL5573144

SCHEMBL5573144

Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)c2ccccc2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 8/20 0.58
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
TACR1 P25103 1/20 0.49
TEAD1 P28347 1/20 0.48
POLB P06746 1/20 0.48
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL5569698 0.93 PTGER1 (0.56) PTGER1SMN1; SMN2LMNAGAATEAD1
SCHEMBL5573170 0.85 TACR1 (0.54) SMN1; SMN2LMNATACR1POLB
SCHEMBL5573330 0.78 MEN1 (0.58) PTGER1SMN1; SMN2LMNAKEAP1NFE2L2
SCHEMBL5572730 0.75 MAPT (0.60) LMNAPOLBTP53MAPT
SCHEMBL5572766 0.74 KEAP1 (0.75) PTGER1KEAP1NFE2L2TEAD1
SCHEMBL20335059 0.74 CTSL (0.68) GAATACR1POLBMAPT
SCHEMBL20335058 0.74 CTSL (0.68) GAATACR1POLBMAPT
SCHEMBL5572753 0.73 SMN1; SMN2 (0.55) SMN1; SMN2LMNAPOLB
SCHEMBL5572756 0.73 CTSL (0.58) SMN1; SMN2GAATACR1POLB
SCHEMBL5570743 0.72 TACR1 (0.50) LMNAGAATACR1POLBMAPT

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 9 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
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 PTGER1 1341/4885SMN1; SMN2 1933/4885LMNA 3701/4885

“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.