SCHEMBL5573300

SCHEMBL5573300

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

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.73
TAS2R14 Q9NYV8 1/20 0.50
AGER Q15109 1/20 0.49
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.48
CNR2 P34972 3/20 0.48
KEAP1 Q14145 2/20 0.48
NFE2L2 Q16236 2/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
ADAMTS4 O75173 1/20 0.47
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.45
C5AR1 P21730 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL5573297 1.00 ADAMTS5 (0.73) ADAMTS5TAS2R14AGERKMT2AGAA
SCHEMBL28644268 0.87 ADAMTS5 (0.57) ADAMTS5TAS2R14KMT2AGAACA12
SCHEMBL5572403 0.85 ADAMTS5 (0.56) ADAMTS5GAACA12CA9POLB
SCHEMBL5572404 0.85 ADAMTS5 (0.56) ADAMTS5GAACA12CA9POLB
SCHEMBL14307988 0.84 ADAMTS5 (0.67) ADAMTS5KMT2ACA12CA9MAPT
SCHEMBL15904171 0.84 ADAMTS5 (0.67) ADAMTS5TAS2R14CA12CA9ADAMTS4
SCHEMBL5569667 0.83 ADAMTS5 (0.53) ADAMTS5TAS2R14AGERKMT2ACNR2
SCHEMBL8652284 0.83 ADAMTS5 (0.65) ADAMTS5KMT2ACNR2POLB
SCHEMBL8652286 0.83 ADAMTS5 (0.65) ADAMTS5KMT2ACNR2POLB
SCHEMBL8957509 0.83 ADAMTS5 (0.58) ADAMTS5TAS2R14KMT2AGAACNR2

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 5 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 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 ADAMTS5 1841/4885TAS2R14 2571/4885AGER 625/4885

“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.