SCHEMBL349117

SCHEMBL349117

CCOC(=O)Cc1ccc(OC)c(Oc2ccc([N+](=O)[O-])cc2CSc2ccc(Cl)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
HTT P42858 4/20 0.41
ALDH1A1 P00352 7/20 0.41
LMNA P02545 4/20 0.41
HPGD P15428 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TTR P02766 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
THRB P10828 1/20 0.40
LCK P06239 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 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
SCHEMBL349666 0.91 PPARG (0.49) KMT2AMEN1PPARGPPARAHTT
SCHEMBL350032 0.86 PPARG (0.46) KMT2AMEN1PPARGPPARAALDH1A1
SCHEMBL347672 0.85 CYP3A4 (0.53) KMT2AMEN1HTTALDH1A1LMNA
SCHEMBL350012 0.84 HTT (0.44) KMT2AMEN1HTTALDH1A1LMNA
SCHEMBL348004 0.83 TTR (0.53) KMT2AMEN1HTTALDH1A1LMNA
SCHEMBL13521899 0.82 HTT (0.47) KMT2AMEN1HTTALDH1A1LMNA
SCHEMBL347720 0.82 HTT (0.47) KMT2AMEN1HTTALDH1A1LMNA
SCHEMBL349501 0.82 ALDH1A1 (0.52) KMT2AMEN1PPARGPPARAHTT
SCHEMBL347221 0.82 LCK (0.54) KMT2AMEN1HTTALDH1A1LMNA
SCHEMBL349154 0.82 ALDH1A1 (0.42) KMT2AMEN1HTTALDH1A1LMNA

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 11 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

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 KMT2A 4646/4885MEN1 4751/4885PPARG 35/4885
US-20100004331-A1 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 KMT2A 4646/4885MEN1 4751/4885PPARG 35/4885
US-20110144160-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 KMT2A 4646/4885MEN1 4751/4885PPARG 35/4885
US-20110190227-A1 Antagonists of Prostaglandin D2 Receptors PTGDR, PTGDR2, PTGER2 KMT2A 4618/4885MEN1 4760/4885PPARG 24/4885

“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.