SCHEMBL900666

SCHEMBL900666

O=C(O)C(O)c1cc(OC(F)(F)F)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 12/20 0.44
FFAR1 O14842 4/20 0.44
PIM1 P11309 1/20 0.41
PDE2A O00408 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
EPHX2 P34913 1/20 0.39
AURKA O14965 1/20 0.38
TPX2 Q9ULW0 1/20 0.38
CYP2C9 P11712 1/20 0.38
CACNA1C Q13936 1/20 0.38
GPR3 P46089 1/20 0.38
GRIK1 P39086 1/20 0.38
GRIK2 Q13002 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL24223658 1.00 FFAR4 (0.44) FFAR4FFAR1PIM1PDE2ACES2
SCHEMBL24223271 0.81 FFAR4 (0.41) FFAR4FFAR1PIM1PDE2A
SCHEMBL24180147 0.79 PDE2A (0.44) FFAR4FFAR1PIM1PDE2ACYP2C9
SCHEMBL20472383 0.77 PDE2A (0.51) PDE2A
SCHEMBL6400522 0.76 PDE2A (0.47) PDE2ACES2CES1
SCHEMBL6400520 0.76 PDE2A (0.47) PDE2ACES2CES1
SCHEMBL6400526 0.76 PDE2A (0.47) PDE2ACES2CES1
SCHEMBL31135330 0.75 PDE2A (0.40) FFAR4FFAR1PIM1PDE2AGPR3
SCHEMBL12263421 0.75 PDE2A (0.51) FFAR4FFAR1PDE2ACES1GPR3
SCHEMBL14763132 0.75 LMNA (0.50) PDE2AEPHX2AURKATPX2GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621916-B1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET SOC CIV (FR) 2016-02-10 EP disclosed
US-9029357-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJET (FR) 2015-05-12 US disclosed
US-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET SOC CIV (FR) 2015-01-01 US disclosed
US-8802664-B2 Benzazole derivatives as histamine H4 receptor ligands BIOPROJECT (FR) 2014-08-12 US disclosed
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands BIOPROJET (FR) 2013-09-05 US disclosed
EP-2621916-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2013-08-07 EP disclosed
WO-2012041860-A1 BENZAZOLE DERIVATIVES AS HISTAMINE H4 RECEPTOR LIGANDS BIOPROJET (FR) 2012-04-05 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 (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-20150004181-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 FFAR4 112/4885FFAR1 626/4885PIM1 2855/4885
US-20130231329-A1 Benzazole Derivatives as Histamine H4 Receptor Ligands HRH4, HRH3, HRH2 FFAR4 71/4885FFAR1 230/4885PIM1 3166/4885

“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.