SCHEMBL349505

SCHEMBL349505

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
DRD2 P14416 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
CTSD P07339 1/20 0.36
MAPK1 P28482 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL13521890 0.90 ABL1 (0.44) CYP3A4DRD2L3MBTL1ABL1RIN1
SCHEMBL2282210 0.90 MAPK1 (0.36) CYP3A4DRD2L3MBTL1MAPK1ALDH1A1
SCHEMBL2275749 0.89 PTGDR2 (0.41) CYP3A4DRD2PPARA
SCHEMBL12409556 0.87 CYP3A4 (0.40) CYP3A4DRD2L3MBTL1ABL1RIN1
SCHEMBL349573 0.86 CYP3A4 (0.45) CYP3A4L3MBTL1PPARGPPARAALDH1A1
SCHEMBL349154 0.85 ALDH1A1 (0.42) CYP3A4ALDH1A1MAPTLMNAHTT
SCHEMBL349119 0.85 CYP3A4 (0.55) CYP3A4DRD2L3MBTL1ABL1RIN1
SCHEMBL350027 0.85 ALDH1A1 (0.40) CYP3A4ABL1RIN1CTSDMAPK1
SCHEMBL347760 0.85 ALDH1A1 (0.40) CYP3A4CTSDMAPK1ALDH1A1GAA
SCHEMBL348678 0.84 CYP3A4 (0.49) CYP3A4L3MBTL1ABL1RIN1ALDH1A1

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 1441/4885DRD2 87/4885L3MBTL1 4068/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885DRD2 87/4885L3MBTL1 4068/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885DRD2 87/4885L3MBTL1 4068/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885DRD2 84/4885L3MBTL1 4395/4885

“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.