SCHEMBL4551423

SCHEMBL4551423

CCCCCS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.45
▸ GPR119 Q8TDV5 8/20 0.44
▸ RECQL P46063 1/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ STS P08842 4/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL406820 0.90 HPGD (0.48) HPGDGPR119RECQLEPHX1STS
SCHEMBL1514778 0.86 EPHX1 (0.52) HPGDGPR119RECQLEPHX1STS
SCHEMBL1088787 0.85 GPR119 (0.46) HPGDGPR119RECQLEPHX1STS
SCHEMBL16497005 0.79 HPGD (0.48) HPGDGPR119RECQLEPHX1STS
SCHEMBL7512359 0.79 GPR119 (0.56) HPGDGPR119RECQLEPHX1
SCHEMBL4551353 0.78 USP2 (0.43) GPR119USP2SMN1; SMN2
SCHEMBL390009 0.78 GPR119 (0.49) GPR119STS
SCHEMBL20128944 0.77 GPR119 (0.57) HPGDGPR119RECQL
SCHEMBL8151168 0.77 GPR119 (0.55) HPGDGPR119RECQLEPHX1USP2
SCHEMBL25176980 0.77 NR1H2 (0.43) HPGDGPR119RECQLEPHX1STS

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-20090005375-A1 ACETYL COENZYME A CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-01 — — US disclosed
WO-2008121592-A2 ACETYL COENZYME A CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-09 — — 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-20090005375-A1 ACETYL COENZYME A CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 HPGD 705/4885GPR119 2816/4885RECQL 1818/4885

“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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