SCHEMBL21367947

SCHEMBL21367947

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 15/20 0.46
▸ CTSS P25774 7/20 0.46
▸ CTSL P07711 3/20 0.46
▸ CTSB P07858 2/20 0.46
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CYP2D6 P10635 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
SCHEMBL6786634 0.83 CTSK (0.53) CTSKCTSSCTSLCTSBCA1
SCHEMBL16564868 0.83 CTSK (0.53) CTSKCTSSCTSLCTSBCA1
SCHEMBL7433177 0.83 CTSK (0.53) CTSKCTSSCTSLCTSBCA1
SCHEMBL13263256 0.79 CTSK (0.50) CTSKCTSSCTSLCTSBCA1
SCHEMBL24981559 0.77 CTSK (0.46) CTSKCTSSCTSLCTSBCA1
SCHEMBL2900790 0.77 CTSK (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL12635213 0.77 CTSK (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL9511453 0.77 CTSK (0.51) CTSKCA1CA2CA7CYP2D6
SCHEMBL12635207 0.77 CTSK (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL6289798 0.77 CTSK (0.51) CTSKCA1CA2CA7CYP2D6

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-10815238-B2 Antimicrobial compounds and methods of making and using the same BioVersys AG (CH) 2020-10-27 — — US disclosed
US-20190284190-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-09-19 — — 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 (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-20190284190-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CTSK 122/4885CTSS 103/4885CTSL 37/4885
US-10815238-B2 Antimicrobial compounds and methods of making and using the same MPO, LPO, CAT CTSK 122/4885CTSS 103/4885CTSL 37/4885

“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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