SCHEMBL4504501

SCHEMBL4504501

COC(=O)C(C)(C)c1cc(Br)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
PLCG1 P19174 1/20 0.38
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
DGAT1 O75907 1/20 0.38
GAA P10253 2/20 0.36
AAK1 Q2M2I8 2/20 0.36
USP2 O75604 1/20 0.36
ALPL P05186 1/20 0.36
ALOX15 P16050 1/20 0.36
NOTUM Q6P988 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL31292276 0.87 DGAT1 (0.41) PTGDR2SMN1; SMN2LMNAKMT2APLCG1
SCHEMBL3993190 0.87 DGAT1 (0.41) PTGDR2SMN1; SMN2LMNAKMT2APLCG1
SCHEMBL2243013 0.86 ALDH1A1 (0.40) PTGDR2SMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL247425 0.84 SMN1; SMN2 (0.40) PTGDR2SMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL11894382 0.84 SMN1; SMN2 (0.40) PTGDR2SMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL15535558 0.84 SMN1; SMN2 (0.40) PTGDR2SMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL31251995 0.83 PTGDR2 (0.45) PTGDR2SMN1; SMN2LMNAKMT2APLCG1
SCHEMBL18512329 0.83 PTGDR2 (0.43) PTGDR2SMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL30349384 0.82 LMNA (0.41) SMN1; SMN2LMNAKMT2APLCG1ALDH1A1
SCHEMBL26090590 0.82 LMNA (0.41) SMN1; SMN2LMNAKMT2APLCG1ALDH1A1

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 PTGDR2 4/4885SMN1; SMN2 2111/4885LMNA 4577/4885
US-20070265291-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS CYSLTR2, PTGER2, CYSLTR1 PTGDR2 4/4885SMN1; SMN2 2111/4885LMNA 4577/4885

“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.