SCHEMBL2944675

SCHEMBL2944675

COC(=O)COc1ccc(Cl)cc1CBr

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 2/20 0.55
PTGDR2 Q9Y5Y4 2/20 0.55
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.52
F2 P00734 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 3/20 0.48
TSHR P16473 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47
PTGS2 P35354 1/20 0.47
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CMA1 P23946 1/20 0.45

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
SCHEMBL4627361 0.88 PTGDR (0.58) PTGDRPTGDR2LMNAMAPTF2
SCHEMBL2945278 0.87 MAPT (0.70) PTGDRPTGDR2LMNAMAPTF2
SCHEMBL23434716 0.86 F2 (0.53) PTGDRPTGDR2LMNAMAPTF2
SCHEMBL4628356 0.86 GAA (0.54) PTGDRPTGDR2MAPTF2SMN1; SMN2
SCHEMBL5007339 0.84 HMGCR (0.56) PTGDRPTGDR2LMNAMAPTF2
SCHEMBL11110347 0.83 MAPT (0.74) PTGDRPTGDR2MAPTTDP1TSHR
SCHEMBL4626978 0.83 MAPT (0.65) PTGDRPTGDR2LMNAMAPTF2
SCHEMBL5007025 0.82 GAA (0.62) PTGDRPTGDR2LMNAMAPTSMN1; SMN2
SCHEMBL5004060 0.82 PTGDR (0.73) PTGDRPTGDR2LMNAMAPTTDP1
SCHEMBL4627039 0.82 PTGDR2 (0.52) PTGDRPTGDR2LMNAMAPTF2

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
US-7678826-B2 Organic compounds for the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-03-16 US disclosed
EP-1891029-B1 ORGANIC COMPOUNDS FOR THE TREATMENT OF IMFLAMMATORY OR ALLERIC CONDITIONS NOVARTIS AG (CH) 2010-01-06 EP disclosed
US-20080312322-A1 Organic Compounds NOVARTIS AG (CH) 2008-12-18 US disclosed
US-20080200466-A1 Organic Compounds For the Treatment of Inflammatory or Allergic Conditions NOVARTIS AG (CH) 2008-08-21 US disclosed
EP-1891029-A1 ORGANIC COMPOUNDS FOR THE TREATMENT OF IMFLAMMATORY OR ALLERIC CONDITIONS Novartis AG (CH) 2008-02-27 EP disclosed
EP-1888505-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2008-02-20 EP disclosed
WO-2006125596-A1 ORGANIC COMPOUNDS FOR THE TREATMENT OF IMFLAMMATORY OR ALLERIC CONDITIONS NOVARTIS AG (CH) 2006-11-30 WO disclosed
WO-2006125593-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-11-30 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-20080312322-A1 Organic Compounds NR3C2, MRGPRX2, HRH2 PTGDR 41/4885PTGDR2 49/4885LMNA 3262/4885
US-20080200466-A1 Organic Compounds For the Treatment of Inflammatory or Allergic Conditions HRH2, MRGPRX2, HRH1 PTGDR 36/4885PTGDR2 43/4885LMNA 3944/4885

“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.