SCHEMBL7103992

SCHEMBL7103992

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

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 13/20 0.58
PPARG P37231 1/20 0.50
ACE P12821 1/20 0.48
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 2/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 1/20 0.45
LTA4H P09960 1/20 0.45
BCL2 P10415 1/20 0.44

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
SCHEMBL7103995 1.00 YAP1 (0.58) YAP1PPARGACEMEN1ALDH1A1
SCHEMBL7103986 0.91 PPARG (0.55) YAP1PPARGMEN1ALDH1A1KMT2A
SCHEMBL7100727 0.85 PPARG (0.55) YAP1PPARGACE
SCHEMBL7100726 0.85 PPARG (0.55) YAP1PPARGACE
SCHEMBL7102219 0.83 PPARG (0.54) YAP1PPARGMEN1ALDH1A1KMT2A
SCHEMBL7102218 0.83 PPARG (0.54) YAP1PPARGMEN1ALDH1A1KMT2A
SCHEMBL6161729 0.79 BCL2 (0.64) YAP1PPARGMEN1ALDH1A1KMT2A
SCHEMBL3500186 0.79 BCL2 (0.64) YAP1PPARGMEN1ALDH1A1KMT2A
SCHEMBL3350988 0.79 BCL2 (0.64) YAP1PPARGMEN1ALDH1A1KMT2A
SCHEMBL7101955 0.77 PPARG (0.54) YAP1PPARGACEMEN1KMT2A

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 YAP1 2670/4885PPARG 4759/4885ACE 1783/4885

“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.