SCHEMBL1922296

SCHEMBL1922296

CCOC(=O)Cc1cncc(-c2ccc(C(=O)OCC)cc2CN(CC)C(=O)OCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.49
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
TBXA2R P21731 2/20 0.44
PTGIR P43119 2/20 0.44
PTGDR Q13258 2/20 0.44
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.37
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
SCHEMBL1922281 0.90 PTGDR2 (0.58) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL1922058 0.86 PTGDR2 (0.66) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL16501862 0.84 PTGDR2 (0.48) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL16501863 0.83 PTGDR2 (0.54) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL1921943 0.81 PTGDR2 (0.60) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL502705 0.80 PTGDR2 (0.68) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL30169776 0.79 PTGDR2 (0.59) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL16501912 0.79 ALDH1A1 (0.44) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL137208 0.78 PTGDR2 (0.52) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL27842656 0.77 PTGDR2 (0.51) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR

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-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
US-20100081673-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-01 US disclosed
WO-2010037054-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 2/4885CYP3A4 741/4885CYP2C9 541/4885
US-20110312974-A1 HETEROARYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885CYP3A4 566/4885CYP2C9 499/4885

“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.