SCHEMBL4508299

SCHEMBL4508299

CCC(=O)c1ccccc1B(O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSP90AB1 P08238 1/20 0.41
TSHR P16473 1/20 0.41
LIPG Q9Y5X9 1/20 0.40
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
ABCB1 P08183 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
ENPP2 Q13822 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL13990159 0.82 L3MBTL1 (0.52) PDK2L3MBTL1MAPTSMN1; SMN2HSP90AB1
Propane SCHEMBL6769461 0.79 ALDH1A1 (0.52) L3MBTL1MAPTSMN1; SMN2TSHRKDM4E
Alcohol SCHEMBL29246862 0.76 BCAT2 (0.50) MAPTTSHRKDM4EKMT2AALDH1A1
SCHEMBL132959 0.76 ALDH1A1 (0.59) L3MBTL1MAPTSMN1; SMN2TSHRKDM4E
SCHEMBL29469063 0.76 ENPP2 (0.41) PDK2L3MBTL1MAPTSMN1; SMN2KDM4E
SCHEMBL519802 0.76 ENPP2 (0.41) PDK2L3MBTL1MAPTSMN1; SMN2KDM4E
SCHEMBL29446522 0.76 ALDH1A1 (0.59) L3MBTL1MAPTSMN1; SMN2TSHRKDM4E
SCHEMBL519974 0.75 TSHR (0.71) L3MBTL1MAPTTSHRKDM4EKMT2A
SCHEMBL521053 0.75 KEAP1 (0.55) L3MBTL1MAPTSMN1; SMN2HSP90AB1TSHR
SCHEMBL364889 0.74 ERCC5 (0.60) L3MBTL1MAPTSMN1; SMN2TSHRKMT2A

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 PDK2 1360/4885L3MBTL1 3511/4885MAPT 3272/4885
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 PDK2 1360/4885L3MBTL1 3511/4885MAPT 3272/4885

“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.