SCHEMBL6702836

SCHEMBL6702836

CC(C)c1ccc(C(=O)NC(Cc2ccc(Cl)c(Cl)c2)C(=O)NC23CCCC2OCC3=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.41
CCR3 P51677 3/20 0.39
TACR2 P21452 1/20 0.39
CTSK P43235 2/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PPARG P37231 2/20 0.37
CTSB P07858 2/20 0.37
KLKB1 P03952 1/20 0.36
TAOK1 Q7L7X3 1/20 0.35
TAOK3 Q9H2K8 1/20 0.35
CTSS P25774 3/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35

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
SCHEMBL6699255 0.91 CTSL (0.40) CTSLCCR3CTSKCYP2D6CYP2C9
SCHEMBL6698937 0.91 TACR2 (0.40) CTSLTACR2CTSKCTSBCTSS
SCHEMBL6695685 0.91 CTSB (0.45) CTSLCCR3CTSKCYP2D6CYP2C9
SCHEMBL6294295 0.90 CTSL (0.40) CTSLCCR3CYP2D6CYP2C9PPARG
SCHEMBL6300636 0.89 CTSL (0.41) CTSLTACR2CTSKCTSBCTSS
SCHEMBL6295603 0.89 TACR2 (0.40) CTSLTACR2CTSKCTSBCTSS
SCHEMBL6295541 0.88 TACR2 (0.39) CTSLTACR2CTSKCTSBCTSS
SCHEMBL6991868 0.88 CTSL (0.39) CTSLCTSKCYP2D6CYP2C9CTSB
SCHEMBL6701575 0.87 TRPV1 (0.44) CTSLCYP2D6CYP2C9KLKB1
SCHEMBL6700741 0.86 DRD2 (0.45) CTSLCTSKCYP2D6CYP2C9CTSB

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-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-06-03 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-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases CTRL, CPN1, CPA1 CTSL 15/4885CCR3 1615/4885TACR2 4235/4885

“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.