SCHEMBL8272240

SCHEMBL8272240

CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C(=O)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ PREP P48147 3/20 0.42
▸ KCNH2 Q12809 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ WNT3 P56703 2/20 0.35
▸ SFRP1 Q8N474 2/20 0.35
▸ RECQL P46063 1/20 0.34
▸ TGM2 P21980 1/20 0.34
▸ NR1H2 P55055 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
SCHEMBL8272248 0.90 RECQL (0.48) HSD17B10HPGDPREPRECQLTGM2
SCHEMBL7175857 0.85 PREP (0.46) HSD17B10PREPNR1H2
SCHEMBL2708283 0.85 PREP (0.46) HSD17B10PREPNR1H2
SCHEMBL2710052 0.85 PREP (0.46) HSD17B10PREPNR1H2
SCHEMBL7143154 0.83 HSD17B10 (0.38) HSD17B10NR1H2
SCHEMBL8990042 0.83 HSD17B10 (0.38) HSD17B10NR1H2
SCHEMBL19910775 0.83 CHRM2 (0.37) TGM2NR1H2
SCHEMBL8607697 0.83 MMP2 (0.40) NR1H2
SCHEMBL8609251 0.83 MMP2 (0.40) NR1H2
SCHEMBL3382551 0.83 HSD17B10 (0.38) HSD17B10NR1H2

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-20050215603-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES 2005-09-29 — — 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-20050215603-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 HSD17B10 411/4885HPGD 1557/4885PREP 46/4885

“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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