SCHEMBL349570

SCHEMBL349570

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.40
CYP3A4 P08684 1/20 0.40
P2RX4 Q99571 1/20 0.36
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
NR3C1 P04150 1/20 0.36
S1PR1 P21453 1/20 0.35
RAF1 P04049 1/20 0.35
IDH1 O75874 1/20 0.35
AR P10275 1/20 0.35
THRB P10828 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
THRA P10827 1/20 0.34
L3MBTL1 Q9Y468 2/20 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
SCHEMBL2280185 0.90 IDH1 (0.36) PTGDR2P2RX4S1PR1RAF1IDH1
SCHEMBL349245 0.90 PTGDR2 (0.45) PTGDR2CYP3A4P2RX4
SCHEMBL3247961 0.82 PTGDR2 (0.46) PTGDR2CYP3A4P2RX4S1PR1
SCHEMBL350160 0.82 CYP3A4 (0.60) PTGDR2CYP3A4GAAL3MBTL1
SCHEMBL349569 0.82 CYP3A4 (0.45) PTGDR2CYP3A4P2RX4RXRARXRB
SCHEMBL1568923 0.81 CYP3A4 (0.49) PTGDR2CYP3A4RXRARXRBRXRG
SCHEMBL13521950 0.80 CYP3A4 (0.49) PTGDR2CYP3A4P2RX4RXRARXRB
SCHEMBL12375407 0.79 CYP3A4 (0.45) PTGDR2CYP3A4P2RX4RXRARXRB
SCHEMBL348413 0.78 CYP3A4 (0.52) PTGDR2CYP3A4P2RX4RXRARXRB
SCHEMBL27807724 0.77 CYP3A4 (0.43) PTGDR2CYP3A4P2RX4RXRARXRB

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 15 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
WO-2010003127-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
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 2/4885CYP3A4 1441/4885P2RX4 336/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885CYP3A4 1441/4885P2RX4 336/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885CYP3A4 1441/4885P2RX4 336/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885CYP3A4 1367/4885P2RX4 254/4885

“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.