SCHEMBL2503897

SCHEMBL2503897

CCC(NC(=O)OC(C)(C)C)C(=O)Nc1cccc(S(C)(=O)=O)c1NCc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.43
CTSS P25774 3/20 0.43
SCN9A Q15858 3/20 0.41
USP30 Q70CQ3 2/20 0.40
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CA2 P00918 2/20 0.36

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
SCHEMBL2503898 1.00 CTSK (0.43) CTSKCTSSSCN9AUSP30TP53
SCHEMBL27911440 0.91 USP30 (0.37) CTSKCTSSSCN9AUSP30MAPT
SCHEMBL2505674 0.90 CTSS (0.41) CTSKCTSSSCN9AUSP30POLB
SCHEMBL2505677 0.90 CTSS (0.41) CTSKCTSSSCN9AUSP30POLB
SCHEMBL12222165 0.88 CTSK (0.46) CTSKCTSSSCN9ATP53MAPT
SCHEMBL2505930 0.88 USP30 (0.43) USP30MAPTCA2
SCHEMBL2506697 0.86 CTSS (0.44) CTSKCTSSSCN9ATP53MAPT
SCHEMBL2506699 0.86 CTSS (0.44) CTSKCTSSSCN9ATP53MAPT
SCHEMBL27929175 0.85 CTSS (0.36) CTSKCTSSUSP30POLB
SCHEMBL2512002 0.82 CTSS (0.40) CTSKCTSSSCN9ATP53MAPT

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-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 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-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 CTSK 1268/4885CTSS 598/4885SCN9A 2216/4885

“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.