SCHEMBL2546243

SCHEMBL2546243

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CTSK P43235 13/20 0.42
CTSS P25774 6/20 0.42
CYP2D6 P10635 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
KMT2A Q03164 1/20 0.39
ATM Q13315 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
SCHEMBL6685916 0.79 CA1 (0.44) CA1CA2CA7CTSKCTSS
SCHEMBL384991 0.79 CA1 (0.44) CA1CA2CA7CTSKCTSS
SCHEMBL384009 0.79 CA1 (0.44) CA1CA2CA7CTSKCTSS
SCHEMBL6672163 0.76 TUBB1 (0.41) CA1CA2CA7CTSKCTSS
SCHEMBL6672156 0.76 TUBB1 (0.41) CA1CA2CA7CTSKCTSS
SCHEMBL1106540 0.75 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL2058438 0.75 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL2249926 0.74 CTSK (0.53) CTSKCTSSCTSLCTSBATM
SCHEMBL12634867 0.74 CA1 (0.49) CA1CA2CA7CTSKCTSS
SCHEMBL12634863 0.74 CA1 (0.49) CA1CA2CA7CTSKCTSS

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-20110263873-A1 Enantioselective Synthesis of y-amino-alpha beta-unsaturated carboxylic acid derivatives NOVARTIS AG (CH) 2011-10-27 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-20110263873-A1 Enantioselective Synthesis of y-amino-alpha beta-unsaturated carboxylic acid derivatives BCAT1, BCAT2, AADAT CA1 2632/4885CA2 2882/4885CA7 1845/4885

“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.