SCHEMBL7098189

SCHEMBL7098189

CC1(C(=O)O)CCC(C(=O)N[C@@H](Cc2ccc(NC(=O)c3cccnc3Cl)cc2)C(=O)O)C1(C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 15/20 0.49
ITGB1 P05556 14/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ITGB7 P26010 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
SCHEMBL7098193 1.00 ITGA4 (0.49) ITGA4ITGB1MEN1KMT2ANPSR1
SCHEMBL7516096 1.00 ITGA4 (0.49) ITGA4ITGB1MEN1KMT2ANPSR1
SCHEMBL7098766 0.88 ITGA4 (0.55) ITGA4ITGB1MEN1KMT2ANPSR1
SCHEMBL7098769 0.88 ITGA4 (0.55) ITGA4ITGB1MEN1KMT2ANPSR1
SCHEMBL7101131 0.88 ITGB1 (0.50) ITGA4ITGB1ITGB7
SCHEMBL7101134 0.88 ITGB1 (0.50) ITGA4ITGB1ITGB7
SCHEMBL7098565 0.88 NPSR1 (0.44) ITGA4ITGB1MEN1KMT2ANPSR1
SCHEMBL7098569 0.88 NPSR1 (0.44) ITGA4ITGB1MEN1KMT2ANPSR1
SCHEMBL7102696 0.85 ITGA4 (0.47) ITGA4ITGB1MEN1KMT2ANPSR1
SCHEMBL7098693 0.85 NPSR1 (0.52) ITGA4ITGB1MEN1KMT2ANPSR1

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
EP-0991619-B1 INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2003-09-10 EP claimed
EP-0991619-B1 INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2003-09-10 EP disclosed
US-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-07-10 US disclosed
EP-0991619-A1 INHIBITORS OF $g(a) 4?$g(b) 1?MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-04-12 EP disclosed
WO-1998058902-A1 INHIBITORS OF α4β1MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 1998-12-30 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-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion VCAM1, ICAM1, ITGB1 ITGA4 8/4885ITGB1 3/4885MEN1 1388/4885

“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.