SCHEMBL349245

SCHEMBL349245

CC(C)(C)C(=O)Nc1ccc(Oc2cc(Cl)cc(CC(=O)O)c2)c(C(F)(F)S(=O)(=O)CCF)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.45
PTGDR Q13258 1/20 0.40
CYP3A4 P08684 1/20 0.40
P2RX4 Q99571 7/20 0.38
STK39 Q9UEW8 1/20 0.38
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRA2B P18089 1/20 0.37
HTR2C P28335 1/20 0.37
P2RX3 P56373 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
P2RX7 Q99572 1/20 0.37
CNR2 P34972 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
SCHEMBL3247961 0.93 PTGDR2 (0.46) PTGDR2PTGDRCYP3A4P2RX4STK39
SCHEMBL349570 0.90 PTGDR2 (0.40) PTGDR2CYP3A4P2RX4
SCHEMBL350160 0.82 CYP3A4 (0.60) PTGDR2PTGDRCYP3A4CYP2C9
SCHEMBL349244 0.82 CYP3A4 (0.45) PTGDR2PTGDRCYP3A4P2RX4CYP2C8
SCHEMBL1568923 0.81 CYP3A4 (0.49) PTGDR2CYP3A4
SCHEMBL1572613 0.80 CYP3A4 (0.48) PTGDR2PTGDRCYP3A4P2RX4CYP2C8
SCHEMBL2280185 0.80 IDH1 (0.36) PTGDR2P2RX4
SCHEMBL12375393 0.79 CYP3A4 (0.45) PTGDR2PTGDRCYP3A4P2RX4CYP2C8
SCHEMBL348013 0.78 CYP3A4 (0.52) PTGDR2PTGDRCYP3A4P2RX4STK39
SCHEMBL13521968 0.78 CYP3A4 (0.51) PTGDR2PTGDRCYP3A4P2RX4STK39

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071807-B2 Antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-12-06 US claimed
JP-2011526930-A 2011-10-20 JP claimed
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-08-04 US claimed
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-06-16 US claimed
EP-2307362-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-04-13 EP claimed
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 US claimed
WO-2010003120-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO claimed
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-20110144160-A1 Antagonists of Prostaglandin D2 Receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-06-16 US disclosed
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 US 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 2/4885PTGDR 1/4885CYP3A4 1441/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885PTGDR 1/4885CYP3A4 1441/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885PTGDR 1/4885CYP3A4 1441/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885PTGDR 1/4885CYP3A4 1367/4885

“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.