SCHEMBL13428259

SCHEMBL13428259

CCOC(=O)Cc1cncc(-c2ccc(C(F)(F)F)cc2CN(Cc2cnc(C)cn2)C(=O)COC)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.41
GPBAR1 Q8TDU6 1/20 0.38
CETP P11597 3/20 0.38
TBXA2R P21731 3/20 0.35
PTGDR Q13258 3/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
DHFR P00374 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
PTGIR P43119 2/20 0.34

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
SCHEMBL13427924 0.92 PTGDR2 (0.46) PTGDR2GPBAR1TBXA2RPTGDRCYP3A4
SCHEMBL3433920 0.91 GPBAR1 (0.40) PTGDR2GPBAR1CETPTBXA2RPTGDR
SCHEMBL16501946 0.90 ALDH1A1 (0.34) GPBAR1CETPCYP11B1CYP11B2
SCHEMBL1921760 0.89 PTGDR2 (0.49) PTGDR2GPBAR1CETPTBXA2RPTGDR
SCHEMBL13427927 0.88 PTGDR2 (0.45) PTGDR2
SCHEMBL3365535 0.83 CYP11B1 (0.39) PTGDR2CETPCYP11B1CYP11B2DHFR
SCHEMBL1922335 0.82 PTGDR2 (0.42) PTGDR2GPBAR1CETPTBXA2RPTGDR
SCHEMBL16501951 0.81 CYP11B2 (0.38) PTGDR2GPBAR1CYP11B1CYP11B2
SCHEMBL3370538 0.81 GPBAR1 (0.44) PTGDR2GPBAR1TBXA2RPTGDRCYP3A4
SCHEMBL16501953 0.80 KDM4E (0.35) GPBAR1CYP11B1CYP11B2

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 3 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

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 2/4885GPBAR1 32/4885CETP 1845/4885

“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.