SCHEMBL6747834

SCHEMBL6747834

CN(C(=O)C(Cc1cccc(O)c1)NC(=O)c1ccccc1)C1(C)COCC1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.44
CTSL P07711 7/20 0.42
CTSB P07858 4/20 0.41
CTSS P25774 4/20 0.41
CTSK P43235 3/20 0.41
CTSV O60911 2/20 0.41
RAB9A P51151 1/20 0.41
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
ALDH1A1 P00352 1/20 0.38
PYGL P06737 1/20 0.38

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
SCHEMBL6749630 0.92 HPGDS (0.39) HPGDSCTSLCTSBCTSSCTSK
SCHEMBL6751642 0.91 CTSL (0.45) HPGDSCTSLCTSBCTSSCTSK
SCHEMBL6985444 0.91 HPGDS (0.39) HPGDSCTSLCTSBCTSSCTSK
SCHEMBL6747703 0.91 CTSL (0.40) HPGDSCTSLCTSBCTSSCTSK
SCHEMBL6752290 0.91 CTSL (0.46) HPGDSCTSLRAB9A
SCHEMBL6751811 0.90 CTSL (0.48) CTSLCTSBCTSSCTSKRAB9A
SCHEMBL6752292 0.88 HPGDS (0.37) HPGDSCTSLRAB9APYGL
SCHEMBL6749652 0.88 TRPV1 (0.44) HPGDSCTSL
SCHEMBL6752382 0.88 HPGDS (0.47) HPGDSCTSLCTSBCTSSCTSK
SCHEMBL6749632 0.86 KDM1A (0.37) HPGDSCTSLCTSBCTSSCTSV

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 HPGDS 1248/4885CTSL 23/4885CTSB 85/4885

“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.