SCHEMBL4955853

SCHEMBL4955853

Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(OC(=O)N3CCN(C(=O)c4ccccc4)CC3)cc2)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 9/20 0.56
ITGB1 P05556 11/20 0.55
ITGA5 P08648 3/20 0.55
ITGB7 P26010 2/20 0.54
ALDH1A1 P00352 1/20 0.52
P2RX7 Q99572 1/20 0.49
ITGA2 P17301 1/20 0.48
FKBP1A P62942 1/20 0.48
MMP1 P03956 4/20 0.48
MMP13 P45452 4/20 0.48
ADAM17 P78536 1/20 0.48
ITGAV P06756 1/20 0.47
MMP9 P14780 3/20 0.47
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46

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
SCHEMBL3849600 0.91 ITGA4 (0.61) ITGA4ITGB1ITGA5ITGB7ALDH1A1
SCHEMBL4412372 0.91 ITGA4 (0.66) ITGA4ITGB1ITGA5ITGB7ALDH1A1
SCHEMBL4415640 0.91 ITGA4 (0.59) ITGA4ITGB1ITGA5ITGB7ALDH1A1
SCHEMBL3852211 0.91 ITGA4 (0.61) ITGA4ITGB1ITGA5ITGB7ALDH1A1
SCHEMBL3856923 0.90 ITGB1 (0.60) ITGA4ITGB1ITGA5ITGB7ALDH1A1
SCHEMBL4421854 0.89 ITGA4 (0.58) ITGA4ITGB1ITGA5ITGB7ALDH1A1
SCHEMBL3850695 0.88 ITGA4 (0.58) ITGA4ITGB1ITGA5ITGB7ALDH1A1
SCHEMBL3857243 0.88 ITGA4 (0.58) ITGA4ITGB1ITGA5ITGB7ALDH1A1
SCHEMBL3848377 0.88 ITGA4 (0.60) ITGA4ITGB1ITGA5ITGB7ALDH1A1
SCHEMBL3849687 0.88 ITGA4 (0.58) ITGA4ITGB1ITGA5ITGB7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320960-B2 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2008-01-22 US claimed
US-20040014677-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2004-01-22 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-20040014677-A1 Carbamyloxy compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 ITGA4 6/4885ITGB1 70/4885ITGA5 113/4885

“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.