SCHEMBL4098653

SCHEMBL4098653

CCC(C)OC(=O)C(C)(CSCc1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
METAP2 P50579 1/20 0.38
MAPT P10636 1/20 0.38
ACE P12821 1/20 0.38
ADORA3 P0DMS8 3/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARD Q03181 2/20 0.37
TSHR P16473 1/20 0.36
MMP8 P22894 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 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
SCHEMBL8233844 0.81 MMP8 (0.55) PPARGPPARAMETAP2CYP2C19TSHR
SCHEMBL8233124 0.81 PPARG (0.45) PPARGPPARAMAPTACECYP2C19
SCHEMBL7617574 0.80 NPSR1 (0.41) MAPTTSHRMMP8SMN1; SMN2NPSR1
SCHEMBL3257459 0.78 SMN1; SMN2 (0.43) MAPTCYP2C19SMN1; SMN2ALDH1A1POLB
SCHEMBL7615614 0.77 SMN1; SMN2 (0.42) PPARGPPARAMAPTCYP2C19MMP8
SCHEMBL13696274 0.76 CYP2C19 (0.46) PPARGPPARAACECYP2C19PPARD
SCHEMBL4098649 0.75 MMP8 (0.57) PPARGPPARAMETAP2CYP2C19MMP8
SCHEMBL8233123 0.75 CYP2C19 (0.45) PPARGPPARAMAPTACECYP2C19
SCHEMBL8233122 0.75 CYP2C19 (0.45) PPARGPPARAMAPTACECYP2C19
SCHEMBL11191474 0.74 METAP2 (0.50) PPARGPPARAMETAP2MAPTACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221640-A1 Novel Crystal Modifications ASTRAZENECA AB (SE) 2009-09-03 US disclosed
EP-2064202-A2 A NEW CRYSTALLINE FORM G OF (5S)-5-[4-(5-CHLORO-PYRIDIN-2-YLOXY)-PIPERIDINE-1-SULFONYL-METHYL]-5-METHYL-IMIDAZOLIDINE-2,4-DIONE (I) AND INTERMEDIATES THEREOF. AstraZeneca AB (SE) 2009-06-03 EP disclosed
WO-2007106022-A2 A NEW CRYSTALLINE FORM G OF (5S) -5- [4- (5-CHLORO-PYRIDIN-2- YLOXY) -PIPERIDINE-1-SULFONYLMETHYL] - 5 -METHYL -IMIDAZOLIDINE - 2,4-DIONE (I) AND INTERMEDIATES THEREOF. ASTRAZENECA AB (SE) 2007-09-20 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 (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-20090221640-A1 Novel Crystal Modifications PTMS, NT5C, CDK5 PPARG 1184/4885PPARA 1009/4885METAP2 3325/4885

“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.