SCHEMBL349532

SCHEMBL349532

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
DRD2 P14416 1/20 0.37
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.35
GLA P06280 1/20 0.35
NPC1 O15118 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
KLK7 P49862 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL350131 0.89 CYP3A4 (0.61) CYP3A4ALDH1A1LMNAHTTNPC1
SCHEMBL347170 0.86 CYP3A4 (0.57) CYP3A4DRD2ABL1RIN1ALDH1A1
SCHEMBL13521970 0.86 CYP3A4 (0.54) CYP3A4DRD2ABL1RIN1ALDH1A1
SCHEMBL3266122 0.84 CYP3A4 (0.51) CYP3A4ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL348562 0.83 CYP3A4 (0.54) CYP3A4DRD2ALDH1A1LMNAHTT
SCHEMBL12375441 0.83 CYP3A4 (0.54) CYP3A4DRD2ALDH1A1LMNAMAPT
SCHEMBL349240 0.82 CYP3A4 (0.52) CYP3A4DRD2ALDH1A1LMNAHTT
SCHEMBL349485 0.82 CYP3A4 (0.55) CYP3A4DRD2ABL1RIN1ALDH1A1
SCHEMBL349119 0.82 CYP3A4 (0.55) CYP3A4DRD2ABL1RIN1ALDH1A1
SCHEMBL348306 0.81 CYP3A4 (0.65) CYP3A4DRD2ABL1RIN1ALDH1A1

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 12 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
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 87/4885ABL1 4696/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885DRD2 87/4885ABL1 4696/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885DRD2 87/4885ABL1 4696/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885DRD2 84/4885ABL1 4615/4885

“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.