SCHEMBL12450937

SCHEMBL12450937

COC(=O)CN(CCN(Cc1ccccc1)C[C@H](C)C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
AKT1 P31749 2/20 0.40
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSS P25774 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
BACE1 P56817 3/20 0.38
PSEN1 P49768 2/20 0.37
PSEN2 P49810 2/20 0.37
APH1B Q8WW43 2/20 0.37
NCSTN Q92542 2/20 0.37
APH1A Q96BI3 2/20 0.37
PSENEN Q9NZ42 2/20 0.37
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 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
SCHEMBL11087007 0.78 KDM4E (0.46) HDAC1HDAC3HDAC2NCOR2TDP1
SCHEMBL7730448 0.78 HDAC1 (0.45) HDAC1HDAC3HDAC2NCOR2AKT1
SCHEMBL12894958 0.74 HDAC3 (0.51) HDAC1HDAC3HDAC2NCOR2AKT1
SCHEMBL5884593 0.74 HDAC1 (0.53) HDAC1HDAC3HDAC2NCOR2AKT1
SCHEMBL7206336 0.74 HDAC3 (0.53) HDAC1HDAC3HDAC2NCOR2AKT1
SCHEMBL13021072 0.73 CTSL (0.51) HDAC1HDAC3HDAC2NCOR2AKT1
SCHEMBL14281304 0.73 CTSL (0.51) HDAC1HDAC3HDAC2NCOR2AKT1
SCHEMBL23130693 0.73 AKT1 (0.50) AKT1CTSLCTSBCTSS
SCHEMBL7570965 0.73 AKT1 (0.50) AKT1CTSLCTSBCTSS
SCHEMBL8018235 0.73 AKT1 (0.50) AKT1CTSLCTSBCTSS

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-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 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-20120238749-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1B, IL1A, IL1R1 HDAC1 717/4885HDAC3 2032/4885HDAC2 1704/4885

“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.