SCHEMBL6403849

SCHEMBL6403849

N#CC1(NC(=O)[C@H](Cc2cc(I)c(O)c(I)c2)NC(=O)c2ccc(N3CCOCC3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 17/20 0.55
CTSS P25774 10/20 0.55
CTSB P07858 8/20 0.55
CTSK P43235 8/20 0.55
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL6403855 1.00 CTSL (0.55) CTSLCTSSCTSBCTSKCYP2D6
SCHEMBL5800380 0.88 CTSL (0.52) CTSLCTSSCTSBCTSKCYP2D6
SCHEMBL6208313 0.86 CTSL (0.53) CTSLCTSSCTSBCTSK
SCHEMBL6208306 0.86 CTSL (0.53) CTSLCTSSCTSBCTSK
SCHEMBL6268990 0.83 CTSK (0.49) CTSLCTSSCTSBCTSK
SCHEMBL6268987 0.83 CTSK (0.49) CTSLCTSSCTSBCTSK
SCHEMBL6185853 0.82 ALDH1A1 (0.53) CTSLCTSB
SCHEMBL6185845 0.82 ALDH1A1 (0.53) CTSLCTSB
SCHEMBL6185000 0.81 F10 (0.41) CTSLCTSSCTSBCTSK
SCHEMBL6185005 0.81 F10 (0.41) CTSLCTSSCTSBCTSK

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-20050282871-A1 3-(3,5-Disubstituted-4-hydroxyphenyl)propionamide derivatives as cathepsin b inhibitors BURRILL II LELAND C 2005-12-22 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-20050282871-A1 3-(3,5-Disubstituted-4-hydroxyphenyl)propionamide derivatives as cathepsin b inhibitors CTSB, CTSZ, CTSS CTSL 14/4885CTSS 3/4885CTSB 1/4885

“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.