SCHEMBL2073068

SCHEMBL2073068

CCCC(Oc1ccc2ccncc2c1)C(=O)O.[Na]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.69
PPARA Q07869 3/20 0.69
MRGPRX4 Q96LA9 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.42
CACNA2D1 P54289 2/20 0.40
PORCN Q9H237 1/20 0.39
CYP3A4 P08684 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
IKBKB O14920 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CTRC Q99895 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
ROCK2 O75116 1/20 0.37
HASPIN Q8TF76 1/20 0.37
NOTUM Q6P988 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36

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
SCHEMBL8363966 0.99 PPARG (0.71) PPARGPPARAMRGPRX4SMN1; SMN2CACNA2D1
SCHEMBL2073059 0.97 PPARG (0.69) PPARGPPARAMRGPRX4SMN1; SMN2CACNA2D1
SCHEMBL2073061 0.89 PPARG (0.56) PPARGPPARAMRGPRX4CACNA2D1PORCN
SCHEMBL2074029 0.86 PPARG (0.53) PPARGPPARAMRGPRX4CACNA2D1PORCN
SCHEMBL6482624 0.83 PPARG (0.49) PPARGPPARAMRGPRX4SMN1; SMN2CACNA2D1
SCHEMBL6482619 0.83 PPARG (0.49) PPARGPPARAMRGPRX4SMN1; SMN2CACNA2D1
SCHEMBL5735463 0.76 MRGPRX4 (0.42) PPARGPPARAMRGPRX4CACNA2D1PORCN
SCHEMBL1565456 0.74 PPARG (0.83) PPARGPPARASMN1; SMN2PTGESALOX5
SCHEMBL8358819 0.73 KDM4E (0.48) PPARGPPARAMRGPRX4CACNA2D1PORCN
SCHEMBL2070920 0.73 F10 (0.42) PPARGPPARAROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902223-B2 For therapy and prophylaxis of thromboses, myocardial infarction, arteriosclerosis, inflammation, apoplexia, angina pectoris, restenosis after angioplasty, claudicatio intermittens, migraine, tumours, tumour diseases and/or tumour metastases MERCK PATENT GMBH (DE) 2011-03-08 US disclosed
US-20040235828-A1 Phenyl derivatives as factor XA Inhibitors MERCK PATENTGESELLSCHAFT (DE) 2004-11-25 US 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 (1 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-20040235828-A1 Phenyl derivatives as factor XA Inhibitors F11, F2, F12 PPARG 2943/4885PPARA 3586/4885MRGPRX4 786/4885

“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.