SCHEMBL13293173

SCHEMBL13293173

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 12/20 0.50
▸ CTSS P25774 9/20 0.50
▸ CTSL P07711 3/20 0.48
▸ CTSB P07858 2/20 0.48
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CYP2D6 P10635 1/20 0.42
▸ AAK1 Q2M2I8 1/20 0.41
▸ SYK P43405 1/20 0.40

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
SCHEMBL21169229 0.82 CA1 (0.53) CTSKCTSSCTSLCTSBCA1
SCHEMBL5262474 0.82 CA1 (0.53) CTSKCTSSCTSLCTSBCA1
SCHEMBL15250454 0.82 CA1 (0.53) CTSKCTSSCTSLCTSBCA1
SCHEMBL13263256 0.81 CTSK (0.50) CTSKCTSSCTSLCTSBCA1
SCHEMBL12336373 0.81 CA1 (0.47) CTSKCTSSCTSLCTSBCA1
SCHEMBL16591738 0.81 CA1 (0.47) CTSKCTSSCTSLCTSBCA1
SCHEMBL9911449 0.80 CA1 (0.52) CTSKCTSSCA1CA2CA7
SCHEMBL5115667 0.80 CTSS (0.57) CTSKCTSSCTSLCTSBCA1
SCHEMBL1722314 0.80 CTSS (0.57) CTSKCTSSCTSLCTSBCA1
SCHEMBL4801958 0.78 CTSK (0.46) CTSKCTSSCTSLCTSBCA1

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-20100152452-A1 STEREOSELECTIVE SYNTHESIS OF PIPERIDINE DERIVATIVES TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2010-06-17 — — 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-20100152452-A1 STEREOSELECTIVE SYNTHESIS OF PIPERIDINE DERIVATIVES DHPS, AZI2, DPYD CTSK 4224/4885CTSS 3427/4885CTSL 4585/4885

“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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