SCHEMBL5870620

SCHEMBL5870620

CC1OCC(=O)C1NC(=O)C(CC1CCCCC1)S(=O)(=O)Cc1csc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.36
XIAP P98170 1/20 0.36
MTNR1A P48039 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
GCK P35557 2/20 0.32
CTSV O60911 2/20 0.31
CTSL P07711 2/20 0.31
CTSS P25774 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
F10 P00742 1/20 0.31
MAPT P10636 1/20 0.31
USP30 Q70CQ3 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
GZMB P10144 1/20 0.31

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
SCHEMBL5870516 0.83 CTSC (0.42) GCKCTSLCTSSUSP30
SCHEMBL5870371 0.83 C5AR1 (0.36) C5AR1XIAPMTNR1AOPRM1OPRK1
SCHEMBL5870311 0.83 C5AR1 (0.38) C5AR1XIAPMTNR1AOPRM1OPRK1
SCHEMBL5870630 0.81 CTSL (0.37) XIAPGCKCTSVCTSLCTSS
SCHEMBL5870207 0.79 TSHR (0.37) GCKCTSLCTSS
SCHEMBL5870500 0.79 CTSS (0.34) OPRK1CTSVCTSLCTSSUSP30
SCHEMBL14347626 0.69 NAAA (0.40) CTSVCTSLCTSS
SCHEMBL5870430 0.68 CTSS (0.42) CTSVCTSLCTSS
Hydrochloric Acid SCHEMBL5627174 0.68 NAAA (0.39) CTSVCTSLCTSS
Hydrochloric Acid SCHEMBL5627163 0.68 NAAA (0.39) CTSVCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132449-B2 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2006-11-07 US disclosed
US-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPUTICS LIMITED (GB) 2004-07-01 US disclosed
EP-1358174-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
WO-2002057248-A2 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-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 C5AR1 1368/4885XIAP 597/4885MTNR1A 2772/4885

“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.