SCHEMBL17026388

SCHEMBL17026388

CC(NC(=O)OC(C)(C)C)C(O)CCl

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.51
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CTSK P43235 10/20 0.43
CTSS P25774 5/20 0.42
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL14357346 1.00 CYP2D6 (0.51) CYP2D6CA1CA2CA7CTSK
SCHEMBL16885191 1.00 CYP2D6 (0.51) CYP2D6CA1CA2CA7CTSK
SCHEMBL15627226 1.00 CYP2D6 (0.51) CYP2D6CA1CA2CA7CTSK
SCHEMBL14931110 0.84 CYP2D6 (0.53) CYP2D6CA1CA2CA7CTSK
SCHEMBL3380313 0.84 CYP2D6 (0.53) CYP2D6CA1CA2CA7CTSK
SCHEMBL13538162 0.84 CYP2D6 (0.53) CYP2D6CA1CA2CA7CTSK
SCHEMBL31606449 0.84 CYP2D6 (0.53) CYP2D6CA1CA2CA7CTSK
SCHEMBL16885227 0.83 CYP2D6 (0.69) CYP2D6CA1CA2CA7CTSK
SCHEMBL16885212 0.83 CYP2D6 (0.69) CYP2D6CA1CA2CA7CTSK
SCHEMBL19790304 0.82 CA1 (0.53) 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
EP-2900665-B1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME (US) 2018-01-03 EP disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 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-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 CYP2D6 2313/4885CA1 3686/4885CA2 3049/4885

“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.