SCHEMBL3366480

SCHEMBL3366480

CCOC(=O)Cc1cnc(O)c(-c2ccc(C(F)(F)F)cc2CNCCC(=O)C2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.41
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
F11 P03951 2/20 0.35
KLKB1 P03952 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CETP P11597 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
MAOB P27338 1/20 0.34
CCRL2 O00421 1/20 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
SCHEMBL154284 0.84 PTGDR2 (0.59) PTGDR2CETP
SCHEMBL152603 0.83 PTGDR2 (0.39) PTGDR2CYP11B1CYP11B2F11KLKB1
SCHEMBL143479 0.82 PTGDR2 (0.44) PTGDR2CYP11B1CYP11B2F11KLKB1
SCHEMBL1922197 0.82 PTGDR2 (0.58) PTGDR2
SCHEMBL3363821 0.81 PTGDR2 (0.47) PTGDR2L3MBTL1CETP
SCHEMBL150113 0.81 PTGDR2 (0.57) PTGDR2CETP
SCHEMBL152200 0.81 PTGDR2 (0.38) PTGDR2CYP11B1CYP11B2L3MBTL1POLB
SCHEMBL1922822 0.80 PTGDR2 (0.53) PTGDR2
SCHEMBL150564 0.78 PTGDR2 (0.51) PTGDR2CETP
SCHEMBL150211 0.77 PTGDR2 (0.63) PTGDR2CETP

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 2/4885CYP11B1 173/4885CYP11B2 63/4885

“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.