SCHEMBL6747671

SCHEMBL6747671

CC1OCC(=O)C1(C)NC(=O)C(N)CC1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.36
METAP2 P50579 6/20 0.34
METAP1 P53582 5/20 0.34
AAK1 Q2M2I8 2/20 0.33
NAAA Q02083 2/20 0.32
CIT O14578 1/20 0.32
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
REN P00797 1/20 0.30
LTA4H P09960 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL6747738 0.99 CTSC (0.38) CTSCMETAP2METAP1AAK1NAAA
SCHEMBL6753437 0.77 CTSS (0.56) CTSLCTSS
SCHEMBL6986613 0.76 EPHX1 (0.33) METAP2METAP1
SCHEMBL6749700 0.75 CTSS (0.42) METAP2METAP1CTSLCTSSLTA4H
SCHEMBL6700232 0.74 METAP2 (0.35) CTSCMETAP2METAP1AAK1CIT
SCHEMBL7168993 0.74
SCHEMBL14347626 0.69 NAAA (0.40) CTSCMETAP2METAP1AAK1NAAA
Hydrochloric Acid SCHEMBL5627174 0.68 NAAA (0.39) CTSCMETAP2METAP1AAK1NAAA
Hydrochloric Acid SCHEMBL5627163 0.68 NAAA (0.39) CTSCMETAP2METAP1AAK1NAAA
Hydrochloric Acid SCHEMBL27192889 0.66 CPB2 (0.45) METAP2METAP1CIT

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-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-07-01 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-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 CTSC 77/4885METAP2 292/4885METAP1 106/4885

“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.