SCHEMBL349776

SCHEMBL349776

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.37
PPIB P23284 1/20 0.35
PPIA P62937 1/20 0.35
PPID Q08752 1/20 0.35
PPIG Q13427 1/20 0.35
HTR2A P28223 2/20 0.35
SLC6A4 P31645 2/20 0.35
DRD2 P14416 1/20 0.35
POLB P06746 1/20 0.35
LDHA P00338 1/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SHMT2 P34897 1/20 0.33
FBP1 P09467 1/20 0.33
ALOX15 P16050 1/20 0.33
CRHBP P24387 1/20 0.33
HTT P42858 1/20 0.33
CRHR2 Q13324 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
SCHEMBL349119 0.89 CYP3A4 (0.55) CYP3A4MAPK1DRD2POLBMAPT
SCHEMBL349082 0.86 MAPK1 (0.35) MAPK1PPIBPPIAPPIDPPIG
SCHEMBL350216 0.86 CYP3A4 (0.42) CYP3A4POLBALDH1A1HPGDFBP1
SCHEMBL2282210 0.86 MAPK1 (0.36) CYP3A4MAPK1PPIBPPIAPPID
SCHEMBL13521904 0.85 MAPK1 (0.38) MAPK1PPIBPPIAPPIDPPIG
SCHEMBL349715 0.84 CYP3A4 (0.65) CYP3A4POLBMAPTALDH1A1HPGD
SCHEMBL2278829 0.83 CYP3A4 (0.52) CYP3A4DRD2POLBMAPTALDH1A1
SCHEMBL349687 0.81 CYP3A4 (0.50) CYP3A4MAPK1POLBMAPTALDH1A1
SCHEMBL13521872 0.81 CYP3A4 (0.56) CYP3A4POLBMAPTALDH1A1L3MBTL1
SCHEMBL14715933 0.80 CYP3A4 (0.61) CYP3A4POLBMAPTALDH1A1HTT

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 9 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
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

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 1441/4885MAPK1 2734/4885PPIB 1595/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885MAPK1 2734/4885PPIB 1595/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1441/4885MAPK1 2734/4885PPIB 1595/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 CYP3A4 1367/4885MAPK1 2947/4885PPIB 1448/4885

“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.