SCHEMBL6797547

SCHEMBL6797547

O=C(Cc1ccccc1)NC(CS(=O)(=O)Cc1ccccc1)C(=O)N1CCC=C2OCC(=O)C21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.38
CCR1 P32246 3/20 0.36
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
MC4R P32245 2/20 0.33
MC3R P41968 2/20 0.33
CTSS P25774 1/20 0.33
SIGMAR1 Q99720 3/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL6802739 0.91 CCR1 (0.38) CCKBRCCR1ALDH1A1MC4RMC3R
SCHEMBL4457998 0.90 CCKBR (0.41) CCKBRALDH1A1CTSS
SCHEMBL6798893 0.83 CHRNA1 (0.42) CCR1CTSSSIGMAR1
SCHEMBL6802732 0.83 CCKBR (0.37) CCKBRCCR1ALDH1A1
SCHEMBL6804307 0.77 KMT2A (0.49) CTSS
SCHEMBL6808313 0.77 CTSS (0.53) CCKBRCCR1ALDH1A1CTSSSIGMAR1
SCHEMBL6797542 0.75 CTSS (0.49) CCKBRCCR1ALDH1A1CTSSCNR2
SCHEMBL6799404 0.70 CTSL (0.62) CTSS
SCHEMBL6798370 0.69 GPR132 (0.42) ALDH1A1LMNA
SCHEMBL6798801 0.69 ACE (0.43)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases GRUNENTHAL GMBH (DE) 2004-07-15 US disclosed
EP-1362052-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
WO-2002057270-A1 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO 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-20040138250-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 CCKBR 3442/4885CCR1 1021/4885ALDH1A1 2908/4885

“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.