SCHEMBL350155

SCHEMBL350155

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(NC(=O)NCc3ccccc3)cc2CSc2ccc(Cl)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.49
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
CNR1 P21554 1/20 0.43
NAMPT P43490 1/20 0.41
EPHX2 P34913 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL349496 0.91 PTGDR2 (0.57) PTGDR2CYP3A4MAPTPOLBCNR1
SCHEMBL348266 0.87 MAPT (0.47) PTGDR2PPARGPPARACYP3A4MAPT
SCHEMBL348673 0.86 CYP3A4 (0.61) PTGDR2CYP3A4MAPTPOLBNAMPT
SCHEMBL349218 0.86 CYP3A4 (0.46) PTGDR2PPARGPPARACYP3A4MAPT
SCHEMBL348133 0.85 CYP3A4 (0.60) PTGDR2PPARGPPARACYP3A4MAPT
SCHEMBL13521856 0.85 MAPT (0.47) PTGDR2CYP3A4MAPTPOLBNAMPT
SCHEMBL347693 0.84 CYP3A4 (0.47) PTGDR2CYP3A4MAPTPOLBNAMPT
SCHEMBL350154 0.82 PTGDR2 (0.49) PTGDR2MAPTPOLBCNR1NAMPT
SCHEMBL347736 0.81 CYP3A4 (0.46) PTGDR2CYP3A4MAPTPOLBNPC1
SCHEMBL350032 0.80 PPARG (0.46) PTGDR2PPARGPPARACYP3A4MAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247602-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2012-08-21 US disclosed
US-20120016029-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2012-01-19 US disclosed
US-8071807-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-12-06 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-06-16 US disclosed
EP-2307362-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-04-13 EP disclosed
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
WO-2010003120-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 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 (4 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-20120016029-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885PPARG 35/4885PPARA 133/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885PPARG 35/4885PPARA 133/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885PPARG 35/4885PPARA 133/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885PPARG 24/4885PPARA 86/4885

“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.