SCHEMBL1922786

SCHEMBL1922786

CCNCc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)OCC)cnc1OC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.45
TBXA2R P21731 4/20 0.40
PTGDR Q13258 4/20 0.40
LMNA P02545 1/20 0.40
CETP P11597 7/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KCNH2 Q12809 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
PTGIR P43119 2/20 0.37
MDM2 Q00987 1/20 0.37

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
SCHEMBL3363821 0.92 PTGDR2 (0.47) PTGDR2TBXA2RPTGDRLMNACETP
SCHEMBL16501977 0.88 PDCD1LG2 (0.36) MDM2
SCHEMBL138850 0.84 PTGDR2 (0.62) PTGDR2TBXA2RPTGDRCETPCYP3A4
SCHEMBL1921831 0.84 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRCETPCYP3A4
SCHEMBL1922249 0.84 PTGDR2 (0.49) PTGDR2TBXA2RPTGDRCETPCYP3A4
SCHEMBL1922067 0.82 PTGDR2 (0.48) PTGDR2TBXA2RPTGDRCETPCYP3A4
SCHEMBL1922223 0.82 CYP11B1 (0.41) PTGDR2LMNAKCNH2
SCHEMBL2221059 0.82 PTGDR2 (0.48) PTGDR2TBXA2RPTGDRLMNACETP
SCHEMBL2576525 0.81 PTGDR2 (0.64) PTGDR2TBXA2RPTGDRCETPCYP3A4
SCHEMBL3366258 0.81 L3MBTL1 (0.42) PTGDR2TBXA2RPTGDRCETP

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 8 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
US-8049015-B2 Heteroaryl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-11-01 US disclosed
EP-2328869-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-06-08 EP disclosed
WO-2010037054-A2 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
US-20100081673-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 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 (2 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-20100081673-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885TBXA2R 6/4885PTGDR 1/4885
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885TBXA2R 6/4885PTGDR 1/4885

“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.