SCHEMBL349672

SCHEMBL349672

CCOC(=O)Cc1ccc(OC)c(Oc2ccc(Cl)cc2CSCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
EGFR P00533 3/20 0.41
ERBB2 P04626 3/20 0.41
ALOX5 P09917 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
MAPT P10636 2/20 0.39
CHRM1 P11229 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 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
SCHEMBL350065 0.89 CYP3A4 (0.51) LMNASMN1; SMN2CYP3A4CYP1A2CYP2C19
SCHEMBL349573 0.89 CYP3A4 (0.45) POLBLMNASMN1; SMN2PPARGPPARA
SCHEMBL347736 0.87 CYP3A4 (0.46) POLBLMNASMN1; SMN2CYP3A4PTGDR2
SCHEMBL13521852 0.86 POLB (0.47) POLBSMN1; SMN2PTGDR2PDE4BPDE4D
SCHEMBL349501 0.85 ALDH1A1 (0.52) LMNASMN1; SMN2PPARGPPARAPDE4B
SCHEMBL349018 0.84 POLB (0.45) POLBSMN1; SMN2PTGDR2PDE4BPDE4D
SCHEMBL347811 0.83 DRD2 (0.44) POLBSMN1; SMN2PTGDR2PDE4BPDE4D
SCHEMBL2280906 0.79 PTGDR2 (0.47) PPARGPPARACYP3A4ALOX5PTGDR2
SCHEMBL350032 0.77 PPARG (0.46) POLBLMNASMN1; SMN2PPARGPPARA
SCHEMBL348284 0.77 ALOX15 (0.43) POLBSMN1; SMN2CYP1A2CYP2C19PTGDR2

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 POLB 2912/4885LMNA 2277/4885SMN1; SMN2 4300/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 POLB 2912/4885LMNA 2277/4885SMN1; SMN2 4300/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 POLB 2912/4885LMNA 2277/4885SMN1; SMN2 4300/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 POLB 3070/4885LMNA 2161/4885SMN1; SMN2 4612/4885

“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.