SCHEMBL166957

SCHEMBL166957

CC(C)(C)OC(=O)C[C@@H](CN)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.54
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CTSK P43235 12/20 0.42
ATM Q13315 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
CTSS P25774 5/20 0.38
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL2846888 0.87 CA1 (0.50) CYP2D6CA1CA2CA7CTSK
SCHEMBL27277997 0.86 CA1 (0.44) CYP2D6CA1CA2CA7CTSK
SCHEMBL12487277 0.86 CA1 (0.44) CYP2D6CA1CA2CA7CTSK
SCHEMBL29130861 0.86 CA1 (0.44) CYP2D6CA1CA2CA7CTSK
SCHEMBL15071346 0.86 CA1 (0.44) CYP2D6CA1CA2CA7CTSK
SCHEMBL29255369 0.86 CA1 (0.44) CYP2D6CA1CA2CA7CTSK
SCHEMBL7834317 0.84 CYP2D6 (0.55) CYP2D6CA1CA2CA7CTSK
SCHEMBL168389 0.84 CYP2D6 (0.55) CYP2D6CA1CA2CA7CTSK
SCHEMBL3689498 0.84 CYP2D6 (0.55) CYP2D6CA1CA2CA7CTSK
SCHEMBL18428106 0.84 CYP2D6 (0.55) CYP2D6CA1CA2CA7CTSK

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
CN-122010782-A Gelagliptin intermediate Process for the preparation of bulk compounds 四川定科制药有限公司 2026-05-12 CN disclosed
US-8741927-B2 Production method of intermediate compound for synthesizing medicament LG LIFE SCIENCES LTD. (KR) 2014-06-03 US disclosed
US-20130165659-A1 PRODUCTION METHOD OF INTERMEDIATE COMPOUND FOR SYNTHESIZING MEDICAMENT LG LIFE SCIENCES LTD. (KR) 2013-06-27 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-20130165659-A1 PRODUCTION METHOD OF INTERMEDIATE COMPOUND FOR SYNTHESIZING MEDICAMENT DPP4, DPP7, DPP8 CYP2D6 147/4885CA1 1155/4885CA2 1154/4885

“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.