SCHEMBL5569667

SCHEMBL5569667

Cc1ccc(S(=O)(=O)N(C)[C@@H](COCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.53
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
LMNA P02545 3/20 0.45
TAS2R14 Q9NYV8 1/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
NR3C1 P04150 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
AGER Q15109 1/20 0.43
CNR2 P34972 4/20 0.43
MAPT P10636 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
ADAMTS4 O75173 1/20 0.42

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
SCHEMBL5573300 0.83 ADAMTS5 (0.73) ADAMTS5KEAP1NFE2L2TAS2R14POLB
SCHEMBL5573297 0.83 ADAMTS5 (0.73) ADAMTS5KEAP1NFE2L2TAS2R14POLB
SCHEMBL5572796 0.81 CTSL (0.45) ADAMTS5ALDH1A1POLBCA12CA9
SCHEMBL28434134 0.81 HSP90AA1 (0.43) ADAMTS5LMNAALDH1A1HTTNPSR1
SCHEMBL28434133 0.81 HSP90AA1 (0.43) ADAMTS5LMNAALDH1A1HTTNPSR1
SCHEMBL28441554 0.81 HSP90AA1 (0.43) ADAMTS5LMNAALDH1A1HTTNPSR1
SCHEMBL5573156 0.77 AGER (0.54) ADAMTS5KEAP1NFE2L2ALDH1A1KMT2A
SCHEMBL17481680 0.77 AGER (0.54) ADAMTS5KEAP1NFE2L2ALDH1A1KMT2A
SCHEMBL19836930 0.77 SLC1A1 (0.51) ALDH1A1KMT2AMAPTCA9
SCHEMBL19836929 0.77 SLC1A1 (0.51) ALDH1A1KMT2AMAPTCA9

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 1841/4885KEAP1 3344/4885NFE2L2 3131/4885

“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.