SCHEMBL7140706

SCHEMBL7140706

CCC(C)CN(C(=O)N[C@@H](CCc1ccccc1)C(=O)CO)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.40
CTSS P25774 1/20 0.40
BACE1 P56817 4/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
LMNA P02545 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
MAPT P10636 2/20 0.37
CASR P41180 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
KAT6A Q92794 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
SCHEMBL7136671 0.93 CTSS (0.38) CTSKCTSSBACE1HDAC4HDAC1
SCHEMBL7134725 0.89 CTSK (0.41) CTSKCTSSHDAC1
SCHEMBL7137802 0.83 CTSK (0.44) CTSKCTSSHDAC1HDAC3HDAC2
SCHEMBL7174119 0.81 CTSK (0.40) CTSKCTSSHDAC1
SCHEMBL7049086 0.75 CTSS (0.40) CTSKCTSS
SCHEMBL7136764 0.75 SMN1; SMN2 (0.42) CTSK
SCHEMBL7135023 0.75 CTSK (0.44) CTSKCTSSHDAC1MAPTMEN1
SCHEMBL31396742 0.73 HPGD (0.60) LMNAMAPTPRMT5WDR77MEN1
SCHEMBL7130920 0.72 SYK (0.41) CTSKCTSSBACE1HDAC1MAPT
SCHEMBL7131891 0.71 PSMB5 (0.40) CTSKCTSSHDAC4HDAC1LMNA

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-20030092634-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2003-05-15 US disclosed
US-6506733-B1 Which process comprises hydrogenating a compound of Formula 9: presence of a catalytic amount of 20% palladium hydroxide on carbon. AXYS PHARMACEUTICALS, INC. 2003-01-14 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-20030092634-A1 Novel compounds and compositions as protease inhibitors SERPINB1, HPN, CTRL CTSK 29/4885CTSS 9/4885BACE1 65/4885

“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.