SCHEMBL22023304

SCHEMBL22023304

CC(C)(C)OC(=O)NC(CO[C@H]1CC[C@@H](c2ccccc2)CC1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 5/20 0.52
▸ PPARG P37231 4/20 0.50
▸ HCRTR2 O43614 2/20 0.47
▸ IDO1 P14902 1/20 0.46
▸ ACE P12821 1/20 0.46
▸ PPARD Q03181 2/20 0.45
▸ MAPK1 P28482 1/20 0.43
▸ CTSS P25774 4/20 0.43
▸ CTSK P43235 2/20 0.43
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ KLK7 P49862 1/20 0.42
▸ KLK5 Q9Y337 1/20 0.42

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
SCHEMBL25172771 0.87 PPARA (0.48) PPARAPPARGIDO1ACEPPARD
SCHEMBL25172772 0.87 PPARA (0.48) PPARAPPARGIDO1ACEPPARD
SCHEMBL26984477 0.87 PPARA (0.48) PPARAPPARGIDO1ACEPPARD
SCHEMBL25178783 0.81 PPARA (0.49) PPARAPPARGIDO1ACEPPARD
SCHEMBL2780551 0.80 CTSS (0.51) PPARAPPARGIDO1CTSSCTSK
SCHEMBL2780552 0.80 CTSS (0.51) PPARAPPARGIDO1CTSSCTSK
SCHEMBL31407349 0.80 CTSS (0.51) PPARAPPARGIDO1CTSSCTSK
SCHEMBL13625093 0.80 SLC18A3 (0.51) PPARAPPARGIDO1ACEPPARD
SCHEMBL31407680 0.78 PPARA (0.44) PPARAPPARGIDO1ACEPPARD
SCHEMBL31407498 0.78 PPARA (0.44) PPARAPPARGIDO1ACEPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3663281-B1 HETEROCYCLIC COMPOUND AND APPLICATION THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2022-12-28 — — EP disclosed
US-11319286-B2 Heterocyclic compound and application thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-05-03 — — US disclosed
US-20200385346-A1 HETEROCYCLIC COMPOUND AND APPLICATION THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-10 — — US disclosed
EP-3663281-A1 HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Takeda Pharmaceutical Company Limited (JP) 2020-06-10 — — EP 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-11319286-B2 Heterocyclic compound and application thereof HCRTR2, HCRTR1, NPY2R PPARA 711/4885PPARG 950/4885HCRTR2 1/4885
US-20200385346-A1 HETEROCYCLIC COMPOUND AND APPLICATION THEREOF HCRTR2, HCRTR1, NPY2R PPARA 711/4885PPARG 950/4885HCRTR2 1/4885

“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.

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