SCHEMBL2385476

SCHEMBL2385476

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.49
CTSS P25774 6/20 0.49
SYK P43405 1/20 0.47
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CYP2D6 P10635 1/20 0.44
ATM Q13315 1/20 0.43
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4205429 1.00 CTSK (0.49) CTSKCTSSSYKCA1CA2
SCHEMBL4981261 1.00 CTSK (0.49) CTSKCTSSSYKCA1CA2
SCHEMBL6684772 0.91 CA1 (0.49) CTSKCTSSSYKCA1CA2
SCHEMBL9911449 0.87 CA1 (0.52) CTSKCTSSSYKCA1CA2
SCHEMBL4936593 0.86 CTSK (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL9062184 0.86 CTSK (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL1853923 0.86 CTSK (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL3908243 0.86 CA1 (0.45) CTSKCTSSSYKCA1CA2
SCHEMBL344846 0.86 CA1 (0.45) CTSKCTSSSYKCA1CA2
SCHEMBL7834317 0.86 CYP2D6 (0.55) CTSKCTSSSYKCA1CA2

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-8471048-B2 Ruthenium carbonyl complex having tridentate ligand, its production method and use TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-06-25 US disclosed
US-20110237814-A1 NOVEL RUTHENIUM CARBONYL COMPLEX HAVING TRIDENTATE LIGAND, ITS PRODUCTION METHOD AND USE TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-09-29 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-20110237814-A1 NOVEL RUTHENIUM CARBONYL COMPLEX HAVING TRIDENTATE LIGAND, ITS PRODUCTION METHOD AND USE ADH1C, ADH1A, ADH5 CTSK 3317/4885CTSS 3969/4885SYK 1987/4885

“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.