SCHEMBL3366258

SCHEMBL3366258

CCNCc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)OCC)ccn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.41
POLB P06746 2/20 0.40
SYK P43405 1/20 0.39
CETP P11597 1/20 0.37
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TBXA2R P21731 1/20 0.36
PTGDR Q13258 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
MAPT P10636 1/20 0.36
DHFR P00374 1/20 0.36
HTT P42858 1/20 0.36
TRPA1 O75762 1/20 0.36
ANO1 Q5XXA6 1/20 0.36

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
SCHEMBL3369752 0.87 PTGDR2 (0.41) L3MBTL1GAAALDH1A1PTGDR2POLB
SCHEMBL16501894 0.86 KDM1A (0.38) L3MBTL1ALDH1A1SYKTDP1MAPT
SCHEMBL2221059 0.83 PTGDR2 (0.48) PTGDR2POLBCETPTHRBTBXA2R
SCHEMBL139320 0.83 PTGDR2 (0.46) L3MBTL1ALDH1A1PTGDR2POLBSYK
SCHEMBL3366406 0.82 POLB (0.44) L3MBTL1GAAALDH1A1PTGDR2POLB
SCHEMBL1922223 0.81 CYP11B1 (0.41) L3MBTL1GAAPTGDR2POLBSYK
SCHEMBL138850 0.81 PTGDR2 (0.62) PTGDR2CETPTBXA2RPTGDR
SCHEMBL3368014 0.81 POLB (0.43) PTGDR2POLBTHRBCYP11B1CYP11B2
SCHEMBL1922786 0.81 PTGDR2 (0.45) PTGDR2CETPTBXA2RPTGDR
SCHEMBL3367560 0.81 PTGDR2 (0.60) PTGDR2CETPTBXA2RPTGDRDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-12-22 US disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
WO-2010037059-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 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 (1 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-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 L3MBTL1 3903/4885GAA 3112/4885ALDH1A1 2005/4885

“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.