SCHEMBL3369752

SCHEMBL3369752

CCOC(=O)Cc1ccnc(-c2ccc(C(F)(F)F)cc2CNCCC(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.36
SYK P43405 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
ANO1 Q5XXA6 1/20 0.34
SHMT1 P34896 1/20 0.34
CETP P11597 1/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DHFR P00374 1/20 0.33
FPR2 P25090 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TBXA2R P21731 1/20 0.33
PTGDR Q13258 1/20 0.33

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
SCHEMBL3366258 0.87 L3MBTL1 (0.42) PTGDR2L3MBTL1ALDH1A1GAAPOLB
SCHEMBL3369749 0.82 PTGDR2 (0.46) PTGDR2CETPDHFRTBXA2RPTGDR
SCHEMBL3363821 0.77 PTGDR2 (0.47) PTGDR2L3MBTL1CETPLMNATBXA2R
SCHEMBL3367560 0.75 PTGDR2 (0.60) PTGDR2CETPDHFRTBXA2RPTGDR
SCHEMBL13428096 0.75 PTGDR2 (0.46) PTGDR2CETPDHFRTBXA2RPTGDR
SCHEMBL16501894 0.74 KDM1A (0.38) L3MBTL1ALDH1A1SYKSHMT1MAPT
SCHEMBL13428207 0.74 PTGDR2 (0.57) PTGDR2
SCHEMBL150593 0.73 PTGDR2 (0.57) PTGDR2CETPTBXA2RPTGDR
SCHEMBL153690 0.73 PTGDR2 (0.57) PTGDR2TBXA2RPTGDR
SCHEMBL13428348 0.73 PTGDR2 (0.53) PTGDR2

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 2 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
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 PTGDR2 2/4885L3MBTL1 3903/4885ALDH1A1 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.