SCHEMBL350097

SCHEMBL350097

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.43
PTGDR2 Q9Y5Y4 6/20 0.41
EPHX2 P34913 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.38
STAT3 P40763 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 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
SCHEMBL347667 0.90 CYP3A4 (0.62) CYP3A4L3MBTL1PTGDR2EPHX2SMN1; SMN2
SCHEMBL348251 0.90 CYP3A4 (0.61) CYP3A4L3MBTL1PTGDR2EPHX2SMN1; SMN2
SCHEMBL348678 0.88 CYP3A4 (0.49) CYP3A4L3MBTL1PTGDR2EPHX2SMN1; SMN2
SCHEMBL347169 0.88 CYP3A4 (0.64) CYP3A4L3MBTL1PTGDR2EPHX2SMN1; SMN2
SCHEMBL349267 0.86 CYP3A4 (0.47) CYP3A4L3MBTL1PTGDR2EPHX2SMN1; SMN2
SCHEMBL348580 0.85 CYP3A4 (0.46) CYP3A4L3MBTL1PTGDR2EPHX2SMN1; SMN2
SCHEMBL350117 0.85 MAPT (0.47) CYP3A4L3MBTL1SMN1; SMN2LMNAKMT2A
SCHEMBL347633 0.85 CYP3A4 (0.46) CYP3A4L3MBTL1PTGDR2SMN1; SMN2LMNA
SCHEMBL350212 0.85 CYP3A4 (0.46) CYP3A4L3MBTL1PTGDR2EPHX2SMN1; SMN2
SCHEMBL348373 0.85 CYP3A4 (0.46) CYP3A4L3MBTL1PTGDR2SMN1; SMN2LMNA

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 4068/4885PTGDR2 2/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885L3MBTL1 4068/4885PTGDR2 2/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885L3MBTL1 4068/4885PTGDR2 2/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885L3MBTL1 4395/4885PTGDR2 2/4885

“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.