SCHEMBL7099513

SCHEMBL7099513

COC(=O)[C@H](Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Cl)cc1)NC(=O)[C@H]1CC[C@@](C)(C(=O)OC(C)(C)C)C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.47
ITGA4 P13612 3/20 0.47
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
MCL1 Q07820 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARG P37231 1/20 0.37
CRHR1 P34998 3/20 0.37
PTGES O14684 3/20 0.36
PSMB5 P28074 1/20 0.36
PPARA Q07869 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34

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
SCHEMBL7099510 1.00 ITGB1 (0.47) ITGB1ITGA4JAK2JAK1TYK2
SCHEMBL7098046 0.91 ITGB1 (0.51) ITGB1ITGA4JAK2JAK1TYK2
SCHEMBL7098020 0.91 TAS1R3 (0.39) ITGB1ITGA4JAK2JAK1TYK2
SCHEMBL7098016 0.91 TAS1R3 (0.39) ITGB1ITGA4JAK2JAK1TYK2
SCHEMBL7098043 0.91 ITGB1 (0.51) ITGB1ITGA4JAK2JAK1TYK2
SCHEMBL7102699 0.85 ITGB1 (0.40) ITGB1ITGA4
SCHEMBL7102695 0.85 ITGB1 (0.40) ITGB1ITGA4
SCHEMBL7098699 0.85 ITGB1 (0.59) ITGB1ITGA4JAK2JAK1TYK2
SCHEMBL7517017 0.85 ITGB1 (0.59) ITGB1ITGA4JAK2JAK1TYK2
SCHEMBL7098702 0.85 ITGB1 (0.59) ITGB1ITGA4JAK2JAK1TYK2

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
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

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 8/4885JAK2 4579/4885

“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.