SCHEMBL349965

SCHEMBL349965

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(NC(=O)C(C)(C)C)cc2CSC(C)(C)C)c1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.80
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 1/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 2/20 0.39
DRD2 P14416 1/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
GNRHR P30968 1/20 0.37
STAT3 P40763 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL14733237 0.93 CYP3A4 (0.77) CYP3A4L3MBTL1EPHX2PTGDR2SMN1; SMN2
SCHEMBL2361747 0.93 CYP3A4 (0.85) CYP3A4L3MBTL1EPHX2PTGDR2SMN1; SMN2
SCHEMBL19033463 0.90 CYP3A4 (0.76) CYP3A4L3MBTL1EPHX2PTGDR2SMN1; SMN2
SCHEMBL349715 0.90 CYP3A4 (0.65) CYP3A4L3MBTL1SMN1; SMN2LMNAMAPT
SCHEMBL348306 0.90 CYP3A4 (0.65) CYP3A4L3MBTL1EPHX2PTGDR2SMN1; SMN2
SCHEMBL14733238 0.90 CYP3A4 (0.75) CYP3A4L3MBTL1EPHX2PTGDR2SMN1; SMN2
SCHEMBL347169 0.89 CYP3A4 (0.64) CYP3A4L3MBTL1EPHX2PTGDR2SMN1; SMN2
SCHEMBL350490 0.89 CYP3A4 (0.64) CYP3A4L3MBTL1EPHX2PTGDR2SMN1; SMN2
Am-461 SCHEMBL29567409 0.89 CYP3A4 (1.00) CYP3A4L3MBTL1EPHX2PTGDR2SMN1; SMN2
Am-461 SCHEMBL349848 0.89 CYP3A4 (1.00) CYP3A4L3MBTL1EPHX2PTGDR2SMN1; 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688624-B2 DP2 antagonist and uses thereof BRICKELL BIOTECH, INC. (US) 2017-06-27 US disclosed
US-9688624-B2 DP2 antagonist and uses thereof BRICKELL BIOTECH, INC. (US) 2017-06-27 US disclosed
US-20130053444-A1 DP2 ANTAGONIST AND USES THEREOF PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-28 US disclosed
US-20130053444-A1 DP2 ANTAGONIST AND USES THEREOF PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-28 US disclosed
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
WO-2011085033-A2 DP2 ANTAGONIST AND USES THEREOF AMIRA PHARMACEUTICALS, INC. (US) 2011-07-14 WO 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-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
WO-2010003120-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 (5 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 4068/4885EPHX2 377/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885L3MBTL1 4068/4885EPHX2 377/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885L3MBTL1 4068/4885EPHX2 377/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885L3MBTL1 4395/4885EPHX2 532/4885
US-20130053444-A1 DP2 ANTAGONIST AND USES THEREOF PTGER2, PTGDR2, PTGES2 CYP3A4 2497/4885L3MBTL1 2926/4885EPHX2 218/4885

“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.