SCHEMBL6418121

SCHEMBL6418121

COc1ccc(CCC(=O)O)c(CN(CC(F)(F)F)C(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
RXRA P19793 4/20 0.40
NR1H2 P55055 4/20 0.40
FFAR1 O14842 3/20 0.39
FFAR4 Q5NUL3 1/20 0.39
NR1H3 Q13133 2/20 0.38
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LPAR1 Q92633 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL6420626 0.90 POLB (0.38) POLBHSD17B10HTTALDH1A1
SCHEMBL7450078 0.90 MTNR1A (0.46) POLBRXRANR1H2ALDH1A1LPAR1
SCHEMBL6419019 0.85 RXRA (0.49) POLBRXRANR1H2FFAR1FFAR4
SCHEMBL6418683 0.84 SSTR4 (0.39) HSD17B10ALDH1A1LPAR1HPGD
SCHEMBL4638135 0.83 CYP1A2 (0.39) HSD17B10PPARGKEAP1NFE2L2ALDH1A1
SCHEMBL4638138 0.83 CYP1A2 (0.39) HSD17B10PPARGKEAP1NFE2L2ALDH1A1
SCHEMBL6418597 0.81 EPHX2 (0.35) HSD17B10PPARGALDH1A1KDM4E
SCHEMBL7370769 0.81 PTGER4 (0.43) KEAP1NFE2L2ALDH1A1
SCHEMBL7370771 0.81 PTGER4 (0.43) KEAP1NFE2L2ALDH1A1
SCHEMBL4639106 0.80 ALDH1A1 (0.34) HSD17B10PPARGALDH1A1LPAR1KDM4E

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 POLB 4005/4885RXRA 662/4885NR1H2 252/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 POLB 4005/4885RXRA 662/4885NR1H2 252/4885

“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.