SCHEMBL7205739

SCHEMBL7205739

CCOC(=O)[C@H](Cc1ccc(OC(=O)N2CCNCC2C(=O)OC(C)(C)C)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 3/20 0.49
MC4R P32245 1/20 0.43
MC5R P33032 1/20 0.43
ITGB1 P05556 4/20 0.42
ITGB7 P26010 1/20 0.42
CASP3 P42574 1/20 0.40
CACNA1B Q00975 2/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 5/20 0.39
ITGA5 P08648 2/20 0.39
MMP1 P03956 2/20 0.39
MMP9 P14780 2/20 0.39
MMP13 P45452 2/20 0.39
FKBP1A P62942 1/20 0.39

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
SCHEMBL4449777 0.97 ITGA4 (0.47) ITGA4MC4RMC5RITGB1ITGB7
SCHEMBL4455548 0.93 ITGA4 (0.52) ITGA4MC4RMC5RITGB1ITGB7
SCHEMBL3849746 0.85 ITGA4 (0.51) ITGA4ITGB1ITGB7CACNA1BITGA5
SCHEMBL3850688 0.85 ITGA4 (0.51) ITGA4ITGB1ITGB7CACNA1BMCL1
SCHEMBL3851145 0.85 ITGA4 (0.54) ITGA4ITGB1ITGB7CACNA1BKMT2A
SCHEMBL3849743 0.85 ITGA4 (0.55) ITGA4ITGB1ITGB7KMT2AITGA5
SCHEMBL3852367 0.83 ITGA4 (0.50) ITGA4ITGB1ITGB7CASP3CACNA1B
SCHEMBL3857921 0.83 ITGA4 (0.54) ITGA4ITGB1ITGB7CACNA1BITGA5
SCHEMBL3852903 0.82 ITGA4 (0.55) ITGA4ITGB1ITGB7KMT2AITGA5
SCHEMBL3848814 0.82 ITGA4 (0.53) ITGA4ITGB1ITGB7CACNA1BITGA5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030017993-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 WYETH 2003-01-23 US claimed

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-20030017993-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, L1CAM ITGA4 8/4885MC4R 1531/4885MC5R 3798/4885

“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.