SCHEMBL7066497

SCHEMBL7066497

Cn1cnc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.56
ITGA5 P08648 3/20 0.56
POLB P06746 2/20 0.52
ITGA4 P13612 4/20 0.50
ALDH1A1 P00352 2/20 0.50
ITGA2 P17301 1/20 0.50
ITGB7 P26010 1/20 0.47
ITGAV P06756 3/20 0.46
TP53 P04637 1/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL7067616 0.92 POLB (0.50) ITGB1ITGA5POLBITGA4ITGA2
SCHEMBL6372653 0.92 POLB (0.55) ITGB1ITGA5POLBITGA4ITGB7
SCHEMBL6368407 0.88 ITGA4 (0.48) ITGB1ITGA5POLBITGA4ITGB7
SCHEMBL5687085 0.88 ITGB1 (0.55) ITGB1ITGA5POLBITGA4ITGA2
SCHEMBL3850203 0.87 ITGB1 (0.50) ITGB1ITGA5POLBITGA4ITGB7
SCHEMBL7325939 0.85 ITGB1 (0.48) ITGB1ITGA5POLBITGA4ITGB7
SCHEMBL3854086 0.83 ITGB1 (0.46) ITGB1ITGA5ITGA4ALDH1A1ITGB7
SCHEMBL3859957 0.82 ITGB1 (0.47) ITGB1ITGA5POLBITGA4ITGA2
SCHEMBL2879402 0.82 ITGB1 (0.77) ITGB1ITGA5ITGA4ALDH1A1ITGA2
SCHEMBL2879401 0.82 ITGB1 (0.77) ITGB1ITGA5ITGA4ALDH1A1ITGA2

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
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 ITGB1 35/4885ITGA5 160/4885POLB 3878/4885

“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.