SCHEMBL4131201

SCHEMBL4131201

CCC(C)OC(=O)C(C(=O)O)C(=O)C(C)(Cc1ccc(F)c(Cl)c1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
KIF11 P52732 2/20 0.35
MAPT P10636 1/20 0.34
CNR2 P34972 2/20 0.33
PPARG P37231 3/20 0.33
PIK3CA P42336 1/20 0.32
PPARA Q07869 2/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
CNR1 P21554 1/20 0.31
ALOX5AP P20292 1/20 0.31
TSHR P16473 1/20 0.31
CASR P41180 1/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31

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
SCHEMBL4131194 0.85 MMP2 (0.37) MMP2MMP3KIF11CNR2PIK3CA
SCHEMBL4000451 0.79 MAPT (0.42) KIF11MAPTTSHR
SCHEMBL4123395 0.77 MAPT (0.42) KIF11MAPT
SCHEMBL4147231 0.76 CNR2 (0.43) MMP2MMP3KIF11CNR2PPARG
SCHEMBL4127279 0.76 MAPT (0.41) KIF11MAPT
SCHEMBL4135204 0.74 CNR2 (0.42) MMP2MMP3KIF11MAPTCNR2
SCHEMBL9487236 0.69 MAPT (0.44) MAPTTSHR
Hydrochloric Acid SCHEMBL29154722 0.63 CNR2 (0.41) CNR2PPARGPIK3CAPPARATSHR
SCHEMBL1626109 0.63 L3MBTL1 (0.40) CNR2PPARATSHR
SCHEMBL2672622 0.62 PPARG (0.47) MAPTPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II IDENIX PHARMACEUTICALS, INC. (US) 2009-03-05 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-20090060866-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS I AND II POLR2E, POLR2H, POLR2A MMP2 677/4885MMP3 3421/4885KIF11 3736/4885

“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.