SCHEMBL7101959

SCHEMBL7101959

CC1(C)[C@@H](C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O)CC[C@@]1(C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MME P08473 1/20 0.52
ACE P12821 1/20 0.52
CPA1 P15085 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
GPR34 Q9UPC5 8/20 0.51
YAP1 P46937 2/20 0.49
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
GPR132 Q9UNW8 1/20 0.46

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
SCHEMBL7101955 1.00 PPARG (0.54) PPARGMEN1KMT2ANPSR1MME
SCHEMBL7102218 0.93 PPARG (0.54) PPARGMEN1KMT2ANPSR1YAP1
SCHEMBL7102219 0.93 PPARG (0.54) PPARGMEN1KMT2ANPSR1YAP1
SCHEMBL7103977 0.92 MEN1 (0.48) PPARGMEN1KMT2ANPSR1MME
SCHEMBL7098661 0.91 MME (0.53) PPARGMEN1KMT2ANPSR1MME
SCHEMBL7098660 0.91 MME (0.53) PPARGMEN1KMT2ANPSR1MME
SCHEMBL7100731 0.88 MEN1 (0.48) MEN1KMT2ANPSR1GPR34YAP1
SCHEMBL7242947 0.88 ITGA4 (0.61)
SCHEMBL7098305 0.88 ITGA4 (0.61)
SCHEMBL7098304 0.88 ITGA4 (0.61)

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 3 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 claimed
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 4759/4885MEN1 1388/4885KMT2A 4158/4885

“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.