SCHEMBL348562

SCHEMBL348562

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.54
ALDH1A1 P00352 3/20 0.41
LMNA P02545 4/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.37
PTGDR Q13258 2/20 0.37
ANO1 Q5XXA6 1/20 0.37
POLB P06746 1/20 0.36
HTT P42858 2/20 0.36
GLA P06280 1/20 0.36
NPC1 O15118 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL12375441 0.91 CYP3A4 (0.54) CYP3A4ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL349240 0.89 CYP3A4 (0.52) CYP3A4ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL348288 0.89 CYP3A4 (0.67) CYP3A4ALDH1A1PTGDR2PTGDRANO1
SCHEMBL347170 0.89 CYP3A4 (0.57) CYP3A4ALDH1A1LMNAMAPTDRD2
SCHEMBL348756 0.88 PTGDR2 (0.51) CYP3A4ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL13523308 0.88 CYP3A4 (0.58) CYP3A4ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL13521970 0.88 CYP3A4 (0.54) CYP3A4ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL347183 0.88 CYP3A4 (0.51) CYP3A4ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3266122 0.88 CYP3A4 (0.51) CYP3A4ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL348836 0.86 CYP3A4 (0.51) CYP3A4ALDH1A1MAPTSMN1; SMN2PTGDR2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120016029-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2012-01-19 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
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 (3 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 1441/4885ALDH1A1 2185/4885LMNA 2277/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885ALDH1A1 2185/4885LMNA 2277/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885ALDH1A1 2155/4885LMNA 2161/4885

“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.