SCHEMBL7098020

SCHEMBL7098020

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
MME P08473 1/20 0.38
ITGB1 P05556 5/20 0.37
ITGA4 P13612 5/20 0.37
PSMB11 A5LHX3 3/20 0.37
PSMA7 O14818 3/20 0.37
PSMB1 P20618 3/20 0.37
PSMA1 P25786 3/20 0.37
PSMA2 P25787 3/20 0.37
PSMA3 P25788 3/20 0.37
PSMA4 P25789 3/20 0.37
PSMB8 P28062 3/20 0.37
PSMB9 P28065 3/20 0.37
PSMA5 P28066 3/20 0.37
PSMB4 P28070 3/20 0.37

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
SCHEMBL7098016 1.00 TAS1R3 (0.39) TAS1R3TAS1R1NPSR1MEN1KMT2A
SCHEMBL7099513 0.91 ITGB1 (0.47) MEN1KMT2AMAPTITGB1ITGA4
SCHEMBL7099510 0.91 ITGB1 (0.47) MEN1KMT2AMAPTITGB1ITGA4
SCHEMBL7098708 0.90 MEN1 (0.45) TAS1R3TAS1R1NPSR1MEN1KMT2A
SCHEMBL7098706 0.90 MEN1 (0.45) TAS1R3TAS1R1NPSR1MEN1KMT2A
SCHEMBL7105442 0.89 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL7105443 0.89 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL7098745 0.87 ITGB1 (0.49) ITGB1ITGA4
SCHEMBL7247044 0.87 ITGB1 (0.49) ITGB1ITGA4
SCHEMBL7247043 0.87 ITGB1 (0.49) 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 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 TAS1R3 1381/4885TAS1R1 411/4885NPSR1 1330/4885

“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.