SCHEMBL6418090

SCHEMBL6418090

COC(=O)/C=C/c1ccc(OC)cc1CN(Cc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 8/20 0.47
CYP1A1 P04798 3/20 0.45
CYP1B1 Q16678 3/20 0.45
TBXA2R P21731 1/20 0.41
PTGDR Q13258 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
KDM1A O60341 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NR1H4 Q96RI1 3/20 0.40
ENPP2 Q13822 1/20 0.39
SLC2A1 P11166 1/20 0.39
BMP1 P13497 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL6418083 1.00 CETP (0.47) CETPCYP1A1CYP1B1TBXA2RPTGDR
SCHEMBL6418148 0.85 LY96 (0.38) CETPCYP1A1CYP1B1KDM1AHDAC8
SCHEMBL6418150 0.85 LY96 (0.38) CETPCYP1A1CYP1B1KDM1AHDAC8
SCHEMBL6418675 0.83 CETP (0.49) CETPTBXA2RPTGDRPTGDR2SLC2A1
SCHEMBL6794217 0.81 CETP (0.48) CETPTBXA2RPTGDRPTGDR2SLC2A1
SCHEMBL6419019 0.80 RXRA (0.49) CETPTBXA2RPTGDRPTGDR2SLC2A1
SCHEMBL7370771 0.77 PTGER4 (0.43) CYP1A1CYP1B1HDAC8MAPT
SCHEMBL7370769 0.77 PTGER4 (0.43) CYP1A1CYP1B1HDAC8MAPT
SCHEMBL14304617 0.73 KDM4E (0.46) HDAC8MAPT
SCHEMBL2056134 0.71 HDAC3 (0.49) CETPTBXA2RPTGDRPTGDR2

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 3898/4885CYP1A1 3759/4885CYP1B1 2881/4885
US-20030087894-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL CETP 3898/4885CYP1A1 3759/4885CYP1B1 2881/4885
US-20020128257-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL CETP 3898/4885CYP1A1 3759/4885CYP1B1 2881/4885
US-20040082559-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 CETP 3466/4885CYP1A1 3096/4885CYP1B1 2371/4885
US-20030216377-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL CETP 3898/4885CYP1A1 3759/4885CYP1B1 2881/4885
US-20010014737-A1 Vitronectin receptor antagonist CALCR, ADGRF1, CALCRL CETP 3898/4885CYP1A1 3759/4885CYP1B1 2881/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 CETP 3466/4885CYP1A1 3096/4885CYP1B1 2371/4885

“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.