SCHEMBL7140797

SCHEMBL7140797

CCCCC(NC(=O)OCc1ccccc1)C(=O)NC(CCC(=O)Nc1ccccc1)C(=O)CO

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 14/20 0.60
SIRT1 Q96EB6 13/20 0.60
SIRT3 Q9NTG7 4/20 0.60
CTSL P07711 1/20 0.58
CTSS P25774 1/20 0.58
SIRT5 Q9NXA8 2/20 0.55
MMP3 P08254 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
NCOR2 Q9Y618 1/20 0.52

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
SCHEMBL7133702 0.90 CTSL (0.70) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL7132876 0.86 CTSL (0.65) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL7133785 0.83 SIRT2 (0.66) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL7331328 0.80 CTSL (0.71) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL29556789 0.80 CA12 (0.57) SIRT2SIRT1SIRT3SIRT5HDAC3
SCHEMBL22689917 0.80 HDAC8 (0.56) SIRT2SIRT1SIRT5HDAC3HDAC4
SCHEMBL7134194 0.79 CTSL (0.58) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL7333974 0.78 CTSL (0.69) SIRT2SIRT1SIRT3CTSLCTSS
SCHEMBL4838789 0.78 SIRT5 (0.76) SIRT2SIRT1SIRT3SIRT5HDAC3
SCHEMBL7131822 0.78 CTSL (0.64) SIRT2SIRT1SIRT3CTSLCTSS

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 SIRT2 2674/4885SIRT1 1375/4885SIRT3 1231/4885

“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.