SCHEMBL4771458

SCHEMBL4771458

CC(C)(C)OC(=O)N[C@@H](CC(=O)CC(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.51
CTSS P25774 3/20 0.51
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.45
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRB2 P47870 1/20 0.43
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL28163808 1.00 CTSK (0.51) CTSKCTSSMAPTATMCTSL
SCHEMBL348499 0.90 CTSK (0.54) CTSKCTSSMAPTATMCTSL
SCHEMBL46367 0.90 CTSK (0.54) CTSKCTSSMAPTATMCTSL
SCHEMBL348500 0.90 CTSK (0.54) CTSKCTSSMAPTATMCTSL
SCHEMBL4044107 0.89 CTSK (0.49) CTSKCTSSMAPTATMCTSL
SCHEMBL7105277 0.88 CTSK (0.50) CTSKCTSSMAPTATMCTSL
SCHEMBL7107444 0.88 CTSK (0.50) CTSKCTSSMAPTATMCTSL
SCHEMBL28859554 0.86 CTSK (0.53) CTSKCTSSMAPTATMCTSL
SCHEMBL13844405 0.86 CTSK (0.53) CTSKCTSSMAPTATMCTSL
SCHEMBL6367958 0.86 CTSK (0.53) CTSKCTSSMAPTATMCTSL

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
EP-1660085-B1 PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-10-15 EP disclosed
US-20050043346-A1 Pyridylpyrrole derivatives active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-02-24 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-20050043346-A1 Pyridylpyrrole derivatives active as kinase inhibitors MAP3K6, MAP3K5, MAP4K2 CTSK 2454/4885CTSS 4048/4885MAPT 2304/4885

“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.