SCHEMBL5573149

SCHEMBL5573149

Cc1ccc(S(=O)(=O)N(C)CC(=O)N(c2ccccc2)[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 3/20 0.45
▸ NFE2L2 Q16236 3/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ P2RX7 Q99572 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ ADAMTS5 Q9UNA0 1/20 0.41
▸ NR3C1 P04150 1/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL5569701 0.94 POLB (0.46) KEAP1NFE2L2KMT2AALDH1A1HPGD
SCHEMBL5572238 0.89 ADAMTS5 (0.49) KEAP1NFE2L2KMT2AALDH1A1CYP3A4
SCHEMBL7374001 0.87 POLB (0.44) KEAP1NFE2L2KMT2AALDH1A1LMNA
SCHEMBL5570745 0.82 PKM (0.46) P2RX7ALDH1A1LMNACYP3A4MAPT
SCHEMBL5573192 0.79 KMT2A (0.47) KMT2AALDH1A1HPGDHTTLMNA
SCHEMBL5573197 0.79 KMT2A (0.47) KMT2AALDH1A1HPGDHTTLMNA
SCHEMBL5569704 0.79 ADAMTS5 (0.52) KEAP1NFE2L2KMT2AALDH1A1LMNA
SCHEMBL5573170 0.78 TACR1 (0.54) KMT2AALDH1A1HPGDHTTLMNA
SCHEMBL30699947 0.77 CA12 (0.49) KEAP1NFE2L2KMT2AALDH1A1HPGD
SCHEMBL4152418 0.77 ALDH1A1 (0.44) KMT2AALDH1A1HPGDLMNAMAPT

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 KEAP1 3344/4885NFE2L2 3131/4885KMT2A 1871/4885

“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.

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