SCHEMBL7045332

SCHEMBL7045332

CC(CCN(C(=O)CCCCNC(=O)OCc1ccccc1)C(=O)c1nc(C(=O)N(C)c2ccccn2)co1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.40
ANPEP P15144 1/20 0.39
KCNA5 P22460 1/20 0.36
DAGLA Q9Y4D2 1/20 0.35
HTT P42858 1/20 0.35
SIRT2 Q8IXJ6 3/20 0.35
SIRT1 Q96EB6 2/20 0.35
SIRT3 Q9NTG7 2/20 0.35
MAPT P10636 1/20 0.35
TGM2 P21980 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34

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
SCHEMBL7049032 0.90 FOLH1 (0.40) FOLH1ANPEPKCNA5DAGLAHTT
SCHEMBL7046297 0.88 FOLH1 (0.39) FOLH1ANPEPKCNA5DAGLAHTT
SCHEMBL7421214 0.83 FOLH1 (0.48) FOLH1ANPEPKCNA5HTTSIRT2
SCHEMBL7046916 0.78 HDAC1 (0.45) FOLH1SIRT2SIRT1SIRT3MAPT
SCHEMBL7049142 0.72 ANPEP (0.37) FOLH1ANPEPSIRT2SIRT1SIRT3
SCHEMBL7046334 0.65 CAPN1 (0.46) FOLH1ANPEPHTTSIRT2TGM2
SCHEMBL7558531 0.64 DAGLA (0.39) KCNA5DAGLA
SCHEMBL15686578 0.64 FOLH1 (0.58) FOLH1HTTSIRT2SIRT1TGM2
SCHEMBL17661741 0.64 ANPEP (0.59) FOLH1ANPEPHTTMAPTTGM2
SCHEMBL19680370 0.64 ANPEP (0.59) FOLH1ANPEPHTTMAPTTGM2

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-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ FOLH1 624/4885ANPEP 23/4885KCNA5 4351/4885

“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.