SCHEMBL7069676

SCHEMBL7069676

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 3/20 0.43
TAS2R14 Q9NYV8 2/20 0.39
ALDH1A1 P00352 1/20 0.38
MMP9 P14780 1/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 1/20 0.38
KEAP1 Q14145 2/20 0.37
NFE2L2 Q16236 2/20 0.37
CNR2 P34972 2/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
PTGES O14684 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL7069725 0.90 LMNA (0.40) ADAMTS5TAS2R14ALDH1A1GAAKEAP1
SCHEMBL7463281 0.87 MMP2 (0.38) ADAMTS5ALDH1A1MMP9KEAP1
SCHEMBL7320271 0.84 ITGB3 (0.37) ALDH1A1MMP9KMT2ACNR2POLB
SCHEMBL7069746 0.83 ADAMTS5 (0.46) ADAMTS5TAS2R14ALDH1A1MMP9GAA
SCHEMBL7385520 0.82 TAS2R14 (0.41) ADAMTS5TAS2R14KMT2AKEAP1
SCHEMBL3856501 0.79 TAS2R14 (0.35) ADAMTS5TAS2R14ALDH1A1GAAKEAP1
SCHEMBL7069483 0.78 NPSR1 (0.41) ADAMTS5TAS2R14ALDH1A1MMP9GAA
SCHEMBL7421577 0.76 MMP9 (0.37) ADAMTS5TAS2R14ALDH1A1MMP9GAA
SCHEMBL3850724 0.76 P2RX7 (0.33) ALDH1A1MAPTPTGES
SCHEMBL7071119 0.76 ADAMTS5 (0.43) ADAMTS5TAS2R14ALDH1A1MMP9GAA

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 7 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

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 ADAMTS5 2798/4885TAS2R14 2838/4885ALDH1A1 369/4885

“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.