SCHEMBL7133702

SCHEMBL7133702

CCCCC(NC(=O)C(CCCC)NC(=O)OCc1ccccc1)C(=O)CO

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.70
CTSS P25774 1/20 0.70
SIRT2 Q8IXJ6 14/20 0.59
SIRT1 Q96EB6 13/20 0.59
SIRT3 Q9NTG7 3/20 0.59
CTSK P43235 1/20 0.56
MME P08473 1/20 0.55
ECE1 P42892 1/20 0.55
TLR2 O60603 1/20 0.54

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
SCHEMBL7132876 0.96 CTSL (0.65) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL7133785 0.93 SIRT2 (0.66) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL7140797 0.90 SIRT2 (0.60) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL7331328 0.89 CTSL (0.71) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL7134194 0.88 CTSL (0.58) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL7333974 0.87 CTSL (0.69) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL7131822 0.87 CTSL (0.64) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL17694107 0.87 CTSL (0.68) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL16199245 0.85 CTSL (0.66) CTSLCTSSSIRT2SIRT1SIRT3
SCHEMBL30414978 0.85 CTSL (0.66) CTSLCTSSSIRT2SIRT1SIRT3

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 4 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
EP-1159260-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-05 EP disclosed
WO-2000055124-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO 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 CTSL 14/4885CTSS 9/4885SIRT2 2674/4885

“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.