SCHEMBL1678588

SCHEMBL1678588

Cc1ccc(C(F)(F)F)c(O)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
DHODH Q02127 1/20 0.41
TAS2R14 Q9NYV8 2/20 0.39
DAO P14920 1/20 0.39
CYP3A4 P08684 3/20 0.39
MAPT P10636 1/20 0.39
NOTUM Q6P988 2/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
SORT1 Q99523 1/20 0.38
LDHA P00338 2/20 0.37
LDHB P07195 2/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ACHE P22303 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
Salycilic Acid SCHEMBL1457176 0.83 GLRA3 (0.60) GLRA3GLRBDAOCYP3A4MAPT
Salycilic Acid SCHEMBL29623842 0.83 GLRA3 (0.60) GLRA3GLRBDAOCYP3A4MAPT
SCHEMBL31643742 0.78 ALDH1A1 (0.50) GLRA3GLRBCYP3A4MAPTNOTUM
SCHEMBL3484657 0.78 ALDH1A1 (0.50) GLRA3GLRBCYP3A4MAPTNOTUM
SCHEMBL9249361 0.77 GLRA3 (0.44) GLRA3GLRBCYP3A4MAPTLDHA
SCHEMBL21073250 0.76 TAS2R14 (0.38) DHODHTAS2R14DAONOTUMALKBH5
SCHEMBL3022045 0.76 GLRA3 (0.43) GLRA3GLRBCYP3A4MAPTLDHA
SCHEMBL8914056 0.76 GLRA3 (0.43) GLRA3GLRBCYP3A4MAPTLDHA
SCHEMBL14553808 0.76 GABRA1 (0.40) TAS2R14ALKBH5ALDH1A1CYP2C9
SCHEMBL1505171 0.76 TDP1 (0.47) DHODHTAS2R14CYP3A4ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101094827-B Benzene compound having two or more substituents DAIICHI SANKYO CO LTD 2012-06-13 CN disclosed
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
CN-101119747-A Tissue factor production inhibitor SANKYO CO (JP) 2008-02-06 CN disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
CN-101094827-A Benzene compound having two or more substituents SANKYO CO (JP) 2007-12-26 CN disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 EP 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 (2 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-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI GLRA3 1529/4885GLRB 1654/4885DHODH 3537/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 GLRA3 294/4885GLRB 149/4885DHODH 3673/4885

“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.