SCHEMBL347667

SCHEMBL347667

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(NC(=O)C(C)(C)C)cc2CSCC(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.39
EPHX2 P34913 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 4/20 0.37
MAPT P10636 3/20 0.37
DRD2 P14416 1/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 2/20 0.35
GAA P10253 1/20 0.35
STAT3 P40763 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL349566 0.91 CYP3A4 (0.50) CYP3A4L3MBTL1SMN1; SMN2LMNAMAPT
SCHEMBL350097 0.90 CYP3A4 (0.49) CYP3A4L3MBTL1PTGDR2EPHX2SMN1; SMN2
SCHEMBL348678 0.90 CYP3A4 (0.49) CYP3A4L3MBTL1PTGDR2EPHX2SMN1; SMN2
SCHEMBL349844 0.90 CYP3A4 (0.77) CYP3A4L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL349965 0.88 CYP3A4 (0.80) CYP3A4L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL349267 0.88 CYP3A4 (0.47) CYP3A4L3MBTL1PTGDR2EPHX2SMN1; SMN2
SCHEMBL349133 0.87 CYP3A4 (0.55) CYP3A4L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL348007 0.87 CYP3A4 (0.55) CYP3A4L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL350117 0.87 MAPT (0.47) CYP3A4L3MBTL1CYP2C19SMN1; SMN2LMNA
SCHEMBL348580 0.87 CYP3A4 (0.46) CYP3A4L3MBTL1PTGDR2EPHX2SMN1; SMN2

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 CYP3A4 1441/4885L3MBTL1 4068/4885CYP1A2 518/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885L3MBTL1 4068/4885CYP1A2 518/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885L3MBTL1 4068/4885CYP1A2 518/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885L3MBTL1 4395/4885CYP1A2 537/4885

“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.