SCHEMBL7069725

SCHEMBL7069725

Cc1ccc(S(=O)(=O)N(C(=O)[C@H]2NCCS2)[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
P2RX7 Q99572 2/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
MAPT P10636 1/20 0.38
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
POLB P06746 1/20 0.37
TAS2R14 Q9NYV8 2/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
GAA P10253 1/20 0.35
NR3C1 P04150 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7069676 0.90 ADAMTS5 (0.43) MAPTKEAP1NFE2L2POLBTAS2R14
SCHEMBL5569712 0.79 LMNA (0.39) LMNAP2RX7CA1CA2MAPT
SCHEMBL7463281 0.78 MMP2 (0.38) KEAP1ADAMTS5ALDH1A1
SCHEMBL3850724 0.78 P2RX7 (0.33) LMNAP2RX7MAPTALDH1A1
SCHEMBL5569747 0.78 LMNA (0.39) LMNAP2RX7CA1CA2MAPT
SCHEMBL7320271 0.77 ITGB3 (0.37) LMNAPOLBALDH1A1
SCHEMBL6709523 0.76 TAS2R14 (0.35) P2RX7KEAP1NFE2L2TAS2R14
SCHEMBL7385520 0.75 TAS2R14 (0.41) CA1CA2KEAP1TAS2R14ADAMTS5
SCHEMBL7069746 0.74 ADAMTS5 (0.46) MAPTKEAP1NFE2L2POLBTAS2R14
SCHEMBL7068178 0.73 POLB (0.40) LMNAPOLBTAS2R14ADAMTS5GAA

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-20030065193-A1 Benzyl compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-04-03 US claimed
US-6362341-B1 ANTIINFLAMMATORY AGENTS ATHENA NEUROSCIENCES, INC. 2002-03-26 US claimed
EP-1001975-A1 BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP claimed
WO-1999006436-A1 BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
US-6586602-B2 CD antigen antagonists such as N-(methanesulfonyl)-L-prolyl-L-phenylalanine and prodrugs used as antiinflammatory agents BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-07-01 US disclosed
US-20030065193-A1 Benzyl compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-04-03 US disclosed
US-6362341-B1 ANTIINFLAMMATORY AGENTS ATHENA NEUROSCIENCES, INC. 2002-03-26 US disclosed
EP-1001975-A1 BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
WO-1999006436-A1 BENZYL 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-20030065193-A1 Benzyl compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 LMNA 3004/4885P2RX7 4799/4885CA1 1116/4885

“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.