SCHEMBL3368014

SCHEMBL3368014

CCNCc1cc(C(F)(F)F)ccc1-c1cccc(CC(=O)OCC)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
TRPV3 Q8NET8 3/20 0.42
THRB P10828 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
PDCD1LG2 Q9BQ51 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
SCN9A Q15858 3/20 0.37
F2 P00734 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
DHFR P00374 2/20 0.36
CTSA P10619 1/20 0.36
SHMT1 P34896 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
SCHEMBL3366406 0.89 POLB (0.44) POLBTHRBPTGDR2MEN1MAPT
SCHEMBL16501902 0.87 PDCD1LG2 (0.41) POLBTHRBMEN1MAPTKMT2A
SCHEMBL16501907 0.82 POLB (0.39) POLBTHRBMEN1MAPTKMT2A
SCHEMBL3366258 0.81 L3MBTL1 (0.42) POLBTHRBPTGDR2MAPTCYP11B1
SCHEMBL3365386 0.80 PTGDR2 (0.58) PTGDR2CYP2C9DHFR
SCHEMBL139320 0.80 PTGDR2 (0.46) POLBTHRBPTGDR2DHFR
SCHEMBL13428356 0.80 PTGDR2 (0.42) POLBPTGDR2SCN9ACYP2C9DHFR
SCHEMBL13428433 0.79 PTGDR2 (0.55) PTGDR2
SCHEMBL1922223 0.77 CYP11B1 (0.41) POLBTHRBPTGDR2MAPTCYP11B1
SCHEMBL2221059 0.76 PTGDR2 (0.48) POLBTHRBPTGDR2MAPTCYP2C9

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 POLB 3115/4885TRPV3 459/4885THRB 776/4885

“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.