SCHEMBL17776397

SCHEMBL17776397

CC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
PDE2A O00408 5/20 0.46
CYP3A4 P08684 2/20 0.40
S1PR3 Q99500 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRB2 P47870 1/20 0.39
MAPT P10636 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL16333438 0.89 PPARG (0.52) PPARGPPARACTSSCTSKPDE2A
SCHEMBL2833637 0.89 PPARG (0.52) PPARGPPARACTSSCTSKPDE2A
SCHEMBL16633977 0.87 PDE2A (0.51) PPARGPPARACTSSCTSKPDE2A
SCHEMBL27957364 0.82 PPARG (0.48) PPARGPPARACTSKPDE2A
SCHEMBL26648342 0.82 CTSS (0.48) CTSSCTSKS1PR3MAPT
SCHEMBL31750821 0.82 S1PR3 (0.50) PPARGPPARACTSSCTSKS1PR3
SCHEMBL15836874 0.82 CTSK (0.64) PPARGPPARACTSSCTSKS1PR3
SCHEMBL7050540 0.82 CTSK (0.64) PPARGPPARACTSSCTSKS1PR3
SCHEMBL14668300 0.82 CTSK (0.64) PPARGPPARACTSSCTSKS1PR3
SCHEMBL2837436 0.82 JAK3 (0.42) PPARGPPARACTSSCTSKPDE2A

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-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2018-01-18 US disclosed
US-9815824-B2 Kappa opioid agonists and uses thereof NEKTAR THERAPEUTICS (US) 2017-11-14 US disclosed
US-20160145245-A1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS 2016-05-26 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 (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-20160145245-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRM1 PPARG 220/4885PPARA 234/4885CTSS 2650/4885
US-20180016266-A1 KAPPA OPIOID AGONISTS AND USES THEREOF OPRK1, OPRD1, OPRL1 PPARG 675/4885PPARA 622/4885CTSS 2801/4885

“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.