SCHEMBL6419019

SCHEMBL6419019

COc1ccc(CCC(=O)O)c(CN(Cc2ccc(C(F)(F)F)cc2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.49
NR1H2 P55055 4/20 0.49
NR1H3 Q13133 2/20 0.47
CETP P11597 2/20 0.46
POLB P06746 1/20 0.45
TBXA2R P21731 1/20 0.44
PTGDR Q13258 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
PPARA Q07869 5/20 0.43
PPARD Q03181 3/20 0.43
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 2/20 0.43
FFAR2 O15552 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PPARG P37231 3/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
SLC2A1 P11166 1/20 0.41

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
SCHEMBL6794217 0.91 CETP (0.48) RXRANR1H2NR1H3CETPTBXA2R
SCHEMBL6418675 0.86 CETP (0.49) RXRANR1H2CETPTBXA2RPTGDR
SCHEMBL6418121 0.85 POLB (0.49) RXRANR1H2NR1H3POLBPPARA
SCHEMBL6418090 0.80 CETP (0.47) CETPTBXA2RPTGDRPTGDR2SLC2A1
SCHEMBL6418083 0.80 CETP (0.47) CETPTBXA2RPTGDRPTGDR2SLC2A1
SCHEMBL6420274 0.78 CETP (0.39) RXRANR1H2CETPTBXA2RPTGDR
SCHEMBL6420626 0.76 POLB (0.38) CETPPOLBKMT2A
SCHEMBL7450078 0.76 MTNR1A (0.46) RXRANR1H2CETPPOLB
SCHEMBL1857874 0.75 HDAC3 (0.55) RXRAPPARAMEN1KMT2APPARG
Phenyl Propionic Acid SCHEMBL6794220 0.74 MEN1 (0.46) RXRANR1H2PPARAPPARDFFAR1

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 15 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
EP-1017387-A4 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORP (US) 2004-08-18 EP disclosed
US-20040082559-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-04-29 US disclosed
US-20030216377-A1 Vitronectin receptor antagonist SMITHKLINE BEECHAM CORPORATION 2003-11-20 US disclosed
US-20030125317-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-07-03 US disclosed
US-20030087894-A1 Vitronectin receptor antagonist SMITHKLINE BEECHAM CORPORATION 2003-05-08 US disclosed
US-20020128257-A1 Vitronectin receptor antagonist SMITHKLINE BEECHAM CORPORATION 2002-09-12 US disclosed
EP-0957917-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-05-15 EP disclosed
US-20020040136-A1 Vitronectin receptor antagonist SMITHKLINE BEECHAM CORPORATION 2002-04-04 US disclosed
US-20010014737-A1 Vitronectin receptor antagonist HEERDING DIRK (US) 2001-08-16 US disclosed
EP-1017387-A1 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 2000-07-12 EP disclosed
EP-0957917-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-24 EP disclosed
WO-1999015170-A1 VITRONECTIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO 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 (7 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-20020040136-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL RXRA 1219/4885NR1H2 674/4885NR1H3 750/4885
US-20030087894-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL RXRA 1219/4885NR1H2 674/4885NR1H3 750/4885
US-20020128257-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL RXRA 1219/4885NR1H2 674/4885NR1H3 750/4885
US-20040082559-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 RXRA 662/4885NR1H2 252/4885NR1H3 262/4885
US-20030216377-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL RXRA 1219/4885NR1H2 674/4885NR1H3 750/4885
US-20010014737-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL RXRA 1219/4885NR1H2 674/4885NR1H3 750/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 RXRA 662/4885NR1H2 252/4885NR1H3 262/4885

“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.