SCHEMBL348673

SCHEMBL348673

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(NC(=O)NCc3ccccc3)cc2CSC(C)(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.61
MAPT P10636 3/20 0.44
NAMPT P43490 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
PPID Q08752 2/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 4/20 0.42
TRPV1 Q8NER1 1/20 0.41
MEN1 O00255 3/20 0.41
HTT P42858 2/20 0.41
QPCT Q16769 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL348465 0.91 CYP3A4 (0.74) CYP3A4LMNASMN1; SMN2PTGDR2L3MBTL1
SCHEMBL347693 0.88 CYP3A4 (0.47) CYP3A4MAPTNAMPTLMNASMN1; SMN2
SCHEMBL347679 0.88 CYP3A4 (0.64) CYP3A4MAPTLMNASMN1; SMN2PTGDR2
SCHEMBL13521856 0.88 MAPT (0.47) CYP3A4MAPTNAMPTLMNASMN1; SMN2
SCHEMBL350155 0.86 PTGDR2 (0.49) CYP3A4MAPTNAMPTPTGDR2L3MBTL1
SCHEMBL349965 0.86 CYP3A4 (0.80) CYP3A4MAPTLMNASMN1; SMN2PTGDR2
SCHEMBL348306 0.85 CYP3A4 (0.65) CYP3A4MAPTLMNASMN1; SMN2PTGDR2
SCHEMBL347169 0.84 CYP3A4 (0.64) CYP3A4LMNASMN1; SMN2PTGDR2L3MBTL1
SCHEMBL349150 0.83 CYP3A4 (0.58) CYP3A4MAPTLMNASMN1; SMN2PTGDR2
SCHEMBL350058 0.83 CYP3A4 (0.62) CYP3A4LMNASMN1; SMN2PTGDR2L3MBTL1

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 1441/4885MAPT 4847/4885NAMPT 1859/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885MAPT 4847/4885NAMPT 1859/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885MAPT 4847/4885NAMPT 1859/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885MAPT 4843/4885NAMPT 1937/4885

“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.