SCHEMBL4501048

SCHEMBL4501048

O=C(O)Cc1c[nH]c2ccc(OBOc3ccc4[nH]cc(CC(=O)O)c4c3)cc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.74
HPGD P15428 3/20 0.64
TSHR P16473 2/20 0.64
CYP2C9 P11712 2/20 0.64
ALDH1A1 P00352 2/20 0.64
PMP22 Q01453 2/20 0.64
LMNA P02545 1/20 0.64
GLA P06280 1/20 0.64
NFKB1 P19838 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
PPARG P37231 1/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
ICMT O60725 1/20 0.50
MTNR1A P48039 4/20 0.49
MTNR1B P49286 3/20 0.49
KMT2A Q03164 2/20 0.48
GPR84 Q9NQS5 1/20 0.48

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
SCHEMBL674415 0.85 KDM4E (1.00) KDM4EHPGDTSHRCYP2C9ALDH1A1
SCHEMBL15747755 0.83 KDM4E (0.75) KDM4EHPGDTSHRCYP2C9ALDH1A1
SCHEMBL6510001 0.82 KDM4E (0.69) KDM4EHPGDTSHRCYP2C9ALDH1A1
SCHEMBL12721122 0.81 KDM4E (0.71) KDM4EHPGDTSHRCYP2C9ALDH1A1
SCHEMBL15747702 0.81 KDM4E (0.71) KDM4EHPGDTSHRCYP2C9ALDH1A1
SCHEMBL4490807 0.80 PPARG (0.71) KDM4EHPGDTSHRCYP2C9ALDH1A1
SCHEMBL2403243 0.80 KDM4E (0.66) KDM4EHPGDTSHRCYP2C9ALDH1A1
SCHEMBL2429146 0.79 KDM4E (0.68) KDM4EHPGDTSHRCYP2C9ALDH1A1
SCHEMBL138121 0.78 NPSR1 (1.00) KDM4EHPGDTSHRCYP2C9ALDH1A1
SCHEMBL29350604 0.78 NPSR1 (1.00) KDM4EHPGDTSHRCYP2C9ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891019-B1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMA INC (US) 2012-07-25 EP disclosed
US-8193183-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS INC. (US) 2012-06-05 US disclosed
US-7517889-B2 2,6-substituted-4-monosubstitutedamino-pyrimidine as prostaglandin D2 receptor antagonists AVENTIS PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
WO-2008039882-A1 A COMBINATION OF NIACIN AND A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST SANOFI-AVENTIS U.S. LLC (US) 2008-04-03 WO disclosed
EP-1891019-A2 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2008-02-27 EP disclosed
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
US-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-10-18 US disclosed
WO-2006044732-A2 2, 6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 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 (2 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-20070244131-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 KDM4E 4590/4885HPGD 488/4885TSHR 1590/4885
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 KDM4E 4590/4885HPGD 488/4885TSHR 1590/4885

“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.