SCHEMBL7101344

SCHEMBL7101344

COC(=O)[C@H](N)Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.57
ITGA4 P13612 19/20 0.57
ITGA2 P17301 1/20 0.56
ITGB7 P26010 1/20 0.56
KMT2A Q03164 1/20 0.50

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
SCHEMBL4516205 1.00 ITGB1 (0.57) ITGB1ITGA4ITGA2ITGB7KMT2A
SCHEMBL4516203 1.00 ITGB1 (0.57) ITGB1ITGA4ITGA2ITGB7KMT2A
Hydrochloric Acid SCHEMBL5260907 0.99 ITGB1 (0.56) ITGB1ITGA4ITGA2ITGB7
Hydrochloric Acid SCHEMBL5259160 0.99 ITGB1 (0.56) ITGB1ITGA4ITGA2ITGB7
SCHEMBL6639808 0.93 ITGB1 (0.63) ITGB1ITGA4ITGA2ITGB7
Hydrochloric Acid SCHEMBL6639802 0.92 ITGB1 (0.62) ITGB1ITGA4ITGA2ITGB7
SCHEMBL18594974 0.92 ITGB1 (0.57) ITGB1ITGA4ITGA2ITGB7
SCHEMBL27682875 0.91 ITGB1 (0.49) ITGB1ITGA4ITGA2ITGB7
SCHEMBL27682876 0.91 ITGB1 (0.49) ITGB1ITGA4ITGA2ITGB7
SCHEMBL4514318 0.88 ITGB1 (0.61) ITGB1ITGA4

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 6 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 disclosed
US-6596752-B1 Small molecules that are potent inhibitors of alpha 4 beta 1 mediated adhesion to either VCAM or CS-1 and which could be useful for the treatment of inflammatory diseases. TANABE SEIYAKU CO., LTD. (JP) 2003-07-22 US disclosed
US-20030130349-A1 Inhibitors of alpha 4beta1 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-07-10 US disclosed
US-6482849-B1 Inhibitors of α4β1 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2002-11-19 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 ITGB1 3/4885ITGA4 8/4885ITGA2 24/4885

“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.