SCHEMBL372389

SCHEMBL372389

CCN(C(=O)C(=O)O)c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.48
MRGPRX4 Q96LA9 4/20 0.46
BRD4 O60885 2/20 0.43
APP P05067 2/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ERN1 O75460 1/20 0.43
RAB9A P51151 1/20 0.43
BACE1 P56817 1/20 0.42
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PTGER1 P34995 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 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
SCHEMBL4575652 0.78 MRGPRX4 (0.44) S1PR5MRGPRX4NPC1ERN1LTB4R
SCHEMBL17769265 0.75 S1PR5 (0.43) S1PR5MRGPRX4BRD4NPC1HPGD
SCHEMBL4747320 0.72 MAOB (0.59) S1PR5MRGPRX4BRD4NPC1HPGD
SCHEMBL17775389 0.72 MRGPRX4 (0.39) S1PR5MRGPRX4BRD4NPC1HPGD
SCHEMBL229472 0.72 MRGPRX4 (0.69) S1PR5MRGPRX4HPGDRAB9APTGER1
SCHEMBL2522702 0.71 MRGPRX4 (0.43) S1PR5MRGPRX4NPC1HPGDSMN1; SMN2
SCHEMBL1128800 0.71 S1PR5 (0.52) S1PR5MRGPRX4NPC1ERN1PTGER1
SCHEMBL29510818 0.71 S1PR5 (0.60) S1PR5MRGPRX4NPC1HPGDSMN1; SMN2
SCHEMBL3954112 0.71 S1PR5 (0.60) S1PR5MRGPRX4NPC1HPGDSMN1; SMN2
SCHEMBL18487566 0.70 FFAR1 (0.52) S1PR5MRGPRX4ERN1ALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155396-A1 C-Met Modulators and Method of Use EXELIXIS, INC. 2014-06-05 US disclosed
EP-2392564-B1 c-Met modulators and methods of use EXELIXIS INC (US) 2013-10-23 EP disclosed
US-8497284-B2 C-met modulators and method of use EXELIXIS, INC. (US) 2013-07-30 US disclosed
US-20120022065-A1 C-Met Modulators and Method of Use EXELIXIS, INC. (US) 2012-01-26 US disclosed
EP-2409704-A2 c-Met modulators and methods of use Exelixis Inc. (US) 2012-01-25 EP disclosed
US-8067436-B2 N-(4-{[7-{[3-(diethylamino)propyl] oxy}-6-(methyloxy) quinazolin-4-yl]oxy}-3- fluorophenyl)-N'-(4- fluorophenyl) cyclopropane-1,1-dicarboxamide; for modulating protein kinase enzymatic activity for modulating cell activities such as proliferation, differentiation, programmed cell death EXELIXIS, INC. (US) 2011-11-29 US disclosed
EP-1673085-B1 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2011-11-09 EP disclosed
EP-2210607-B1 N-[3-fluoro-4-({6-(methyloxy)-7-[(3-morpholin-4-ylpropyl)oxy]quinolin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide for the treatment of cancer EXELIXIS INC (US) 2011-08-17 EP disclosed
EP-2213661-B1 c-Met Modulators and Methods of Use EXELIXIS INC (US) 2011-07-20 EP disclosed
US-20110077233-A1 C-Met Modulators and Method of Use EXELIXIS, INC. (US) 2011-03-31 US disclosed
US-20080161305-A1 C-Met Modulators and Methods of Use EXELIXIS, INC. (US) 2008-07-03 US 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 (4 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-20120022065-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 S1PR5 1861/4885MRGPRX4 1336/4885BRD4 855/4885
US-20140155396-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 S1PR5 1861/4885MRGPRX4 1336/4885BRD4 855/4885
US-20080161305-A1 C-Met Modulators and Methods of Use MET, HGFAC, HGF S1PR5 2286/4885MRGPRX4 1370/4885BRD4 1584/4885
US-20110077233-A1 C-Met Modulators and Method of Use FLT4, MET, FLT1 S1PR5 1861/4885MRGPRX4 1336/4885BRD4 855/4885

“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.