SCHEMBL6420274

SCHEMBL6420274

COc1ccc(CCC(=O)NN2C(=O)OC[C@H]2Cc2ccccc2)c(CN(Cc2ccc(C(F)(F)F)cc2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
TBXA2R P21731 1/20 0.38
PTGDR Q13258 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
KCNH2 Q12809 1/20 0.35
CACNA1C Q13936 1/20 0.35
SCN5A Q14524 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARA Q07869 3/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 1/20 0.35
RXRA P19793 1/20 0.34
NR1H2 P55055 1/20 0.34
SLC2A1 P11166 1/20 0.34
BMP1 P13497 1/20 0.33

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
SCHEMBL6419545 0.90 CETP (0.36) CETPMEN1KMT2APPARAPPARG
SCHEMBL6421272 0.86 CETP (0.37) CETPPTGDR2TBXA2RPTGDRHDAC3
SCHEMBL6419019 0.78 RXRA (0.49) CETPPTGDR2TBXA2RPTGDRMEN1
SCHEMBL6794217 0.77 CETP (0.48) CETPPTGDR2TBXA2RPTGDRHDAC3
SCHEMBL6418124 0.77 NAAA (0.40) MEN1KMT2A
SCHEMBL6418863 0.77 CETP (0.35) CETPMEN1KMT2ABMP1EPHX2
SCHEMBL6418675 0.71 CETP (0.49) CETPPTGDR2TBXA2RPTGDRHDAC3
SCHEMBL6418128 0.70 NAAA (0.37) MEN1KMT2APPARA
SCHEMBL6418083 0.68 CETP (0.47) CETPPTGDR2TBXA2RPTGDRSLC2A1
SCHEMBL6418090 0.68 CETP (0.47) CETPPTGDR2TBXA2RPTGDRSLC2A1

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 3898/4885PTGDR2 470/4885TBXA2R 252/4885
US-20030087894-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL CETP 3898/4885PTGDR2 470/4885TBXA2R 252/4885
US-20020128257-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL CETP 3898/4885PTGDR2 470/4885TBXA2R 252/4885
US-20040082559-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 CETP 3466/4885PTGDR2 200/4885TBXA2R 95/4885
US-20030216377-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL CETP 3898/4885PTGDR2 470/4885TBXA2R 252/4885
US-20010014737-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL CETP 3898/4885PTGDR2 470/4885TBXA2R 252/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 CETP 3466/4885PTGDR2 200/4885TBXA2R 95/4885

“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.