SCHEMBL349082

SCHEMBL349082

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
HTR2A P28223 2/20 0.35
SLC6A4 P31645 2/20 0.35
POLB P06746 1/20 0.35
LDHA P00338 1/20 0.35
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SHMT2 P34897 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
CYP4Z1 Q86W10 1/20 0.33
PPIB P23284 1/20 0.33
PPIA P62937 1/20 0.33
PPID Q08752 1/20 0.33
PPIG Q13427 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32

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
SCHEMBL349203 0.89 CYP3A4 (0.40) POLBMAPTL3MBTL1ALDH1A1HTT
SCHEMBL349776 0.86 CYP3A4 (0.44) MAPK1HTR2ASLC6A4POLBLDHA
SCHEMBL350229 0.85 LMNA (0.41) MAPK1POLBMAPTALDH1A1HPGD
SCHEMBL13521904 0.85 MAPK1 (0.38) MAPK1HTR2ASLC6A4POLBLDHA
SCHEMBL2282210 0.84 MAPK1 (0.36) MAPK1HTR2ASLC6A4POLBLDHA
SCHEMBL350176 0.83 CYP3A4 (0.51) POLBMAPTL3MBTL1ALDH1A1HPGD
SCHEMBL2280519 0.77 CETP (0.37) MAPK1MAPTL3MBTL1ALDH1A1HPGD
SCHEMBL13742135 0.77 MAPT (0.42) MAPK1POLBMAPTL3MBTL1ALDH1A1
SCHEMBL350678 0.77 ABL1 (0.45) POLBMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL348158 0.77 PPARG (0.42) MAPTL3MBTL1ALDH1A1HTTTSHR

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 10 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
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 MAPK1 2734/4885HTR2A 129/4885SLC6A4 3329/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 MAPK1 2734/4885HTR2A 129/4885SLC6A4 3329/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 MAPK1 2734/4885HTR2A 129/4885SLC6A4 3329/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 MAPK1 2947/4885HTR2A 134/4885SLC6A4 3290/4885

“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.