SCHEMBL6421272

SCHEMBL6421272

COC(=O)C[C@H](Cc1ccc(OC)cc1CN(Cc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C)C(=O)NN1C(=O)OC[C@H]1Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CETP P11597 7/20 0.37
TBXA2R P21731 1/20 0.35
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
EPHX2 P34913 5/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 4/20 0.32
PPARA Q07869 2/20 0.32
LMNA P02545 1/20 0.32
BMP1 P13497 1/20 0.32
KCNH2 Q12809 1/20 0.31
CACNA1C Q13936 1/20 0.31
SCN5A Q14524 1/20 0.31

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
SCHEMBL6418863 0.91 CETP (0.35) CETPEPHX2MEN1KMT2ABMP1
SCHEMBL6420274 0.86 CETP (0.39) CETPTBXA2RPTGDRPTGDR2EPHX2
SCHEMBL6419545 0.77 CETP (0.36) CETPMEN1KMT2APPARGPPARA
SCHEMBL6794217 0.71 CETP (0.48) CETPTBXA2RPTGDRPTGDR2EPHX2
SCHEMBL6654834 0.69 PPARA (0.37) CETPHDAC3HDAC1HDAC2NCOR2
SCHEMBL6654838 0.69 PPARA (0.37) CETPHDAC3HDAC1HDAC2NCOR2
SCHEMBL6419019 0.69 RXRA (0.49) CETPTBXA2RPTGDRPTGDR2MEN1
SCHEMBL6418124 0.68 NAAA (0.40) MEN1KMT2A
SCHEMBL6418675 0.68 CETP (0.49) CETPTBXA2RPTGDRPTGDR2HDAC3
SCHEMBL6419963 0.67 KDM4E (0.35) CETPPTGDR2MEN1KMT2APPARG

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 CETP 3898/4885TBXA2R 252/4885PTGDR 448/4885
US-20030087894-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL CETP 3898/4885TBXA2R 252/4885PTGDR 448/4885
US-20020128257-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL CETP 3898/4885TBXA2R 252/4885PTGDR 448/4885
US-20040082559-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 CETP 3466/4885TBXA2R 95/4885PTGDR 142/4885
US-20030216377-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL CETP 3898/4885TBXA2R 252/4885PTGDR 448/4885
US-20010014737-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL CETP 3898/4885TBXA2R 252/4885PTGDR 448/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 CETP 3466/4885TBXA2R 95/4885PTGDR 142/4885

“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.