SCHEMBL6420432

SCHEMBL6420432

COC(=O)C(CC(=O)O)Cc1ccc(OC)cc1CNCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.41
PPARG P37231 4/20 0.41
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 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
SCHEMBL4638061 0.93 EPHX2 (0.48) EPHX2PPARG
SCHEMBL4638056 0.91 EPHX2 (0.40) EPHX2PPARGCYP1A2CYP2C9
SCHEMBL2784963 0.84 MMP1 (0.42) CYP1A2CYP2C9ALDH1A1
SCHEMBL6420476 0.80 HSD17B10 (0.43) CYP1A2CYP2C9ALDH1A1
SCHEMBL23082993 0.79 EGFR (0.35)
SCHEMBL6418597 0.77 EPHX2 (0.35) EPHX2PPARGCYP1A2CYP2C9ALDH1A1
SCHEMBL7402677 0.76 EPHX2 (0.36) EPHX2PPARGALDH1A1
SCHEMBL6423170 0.75 ALDH1A1 (0.37) EPHX2PPARGCYP1A2CYP2C9ALDH1A1
SCHEMBL2046623 0.75 SLC6A4 (0.41) EPHX2PPARGCYP1A2CYP2C9
SCHEMBL2803839 0.74 ALDH1A1 (0.39) CYP1A2CYP2C9ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957917-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-12-07 EP disclosed
US-6825188-B2 MORE POTENT INHIBITORS OF THE VITRONECTIN RECEPTOR THAN THE FIBRINOGEN SMITHKLINE BEECHAM CORPORATION 2004-11-30 US disclosed
US-20040082559-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-04-29 US disclosed
US-20030125317-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-07-03 US disclosed
EP-0957917-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-05-15 EP disclosed
EP-0957917-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-24 EP disclosed
WO-1998014192-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-09 WO 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 (2 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-20040082559-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 EPHX2 2147/4885PPARG 1324/4885CYP1A2 2551/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 EPHX2 2147/4885PPARG 1324/4885CYP1A2 2551/4885

“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.