SCHEMBL7102218

SCHEMBL7102218

COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)C1CCC(C)(C(=O)O)C1(C)C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.54
YAP1 P46937 11/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LTA4H P09960 1/20 0.48
GAA P10253 2/20 0.48
RAB9A P51151 1/20 0.48
CYP3A4 P08684 3/20 0.47
TSHR P16473 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL7102219 1.00 PPARG (0.54) PPARGYAP1MEN1KMT2ANPSR1
SCHEMBL7101959 0.93 PPARG (0.54) PPARGYAP1MEN1KMT2ANPSR1
SCHEMBL7101955 0.93 PPARG (0.54) PPARGYAP1MEN1KMT2ANPSR1
SCHEMBL7103883 0.88 ITGA4 (0.53)
SCHEMBL7103881 0.88 ITGA4 (0.53)
SCHEMBL7103920 0.88 ITGA4 (0.53)
SCHEMBL7103986 0.88 PPARG (0.55) PPARGYAP1MEN1KMT2ALTA4H
SCHEMBL7103977 0.85 MEN1 (0.48) PPARGYAP1MEN1KMT2ANPSR1
SCHEMBL7098661 0.84 MME (0.53) PPARGYAP1MEN1KMT2ANPSR1
SCHEMBL7098660 0.84 MME (0.53) PPARGYAP1MEN1KMT2ANPSR1

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 PPARG 4759/4885YAP1 2670/4885MEN1 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.