SCHEMBL5870326

SCHEMBL5870326

CC(C)CC(SCc1ccc(C(C)(C)C)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.56
ACE P12821 2/20 0.46
ALDH1A1 P00352 3/20 0.44
CYP2C19 P33261 2/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.40
THRB P10828 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MCL1 Q07820 1/20 0.39
KIF11 P52732 1/20 0.39
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 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
SCHEMBL5870328 1.00 EPHX1 (0.56) EPHX1ACEALDH1A1CYP2C19POLB
SCHEMBL4446711 1.00 EPHX1 (0.56) EPHX1ACEALDH1A1CYP2C19POLB
SCHEMBL13778157 0.81 EPHX1 (0.61) EPHX1ACEALDH1A1POLBCYP2C9
SCHEMBL6969744 0.81 ACE (0.48) EPHX1ACEALDH1A1CYP2C19POLB
SCHEMBL7023832 0.76 EPHX1 (0.44) EPHX1ACEMAPT
SCHEMBL5870584 0.73 PPARG (0.44) EPHX1ALDH1A1CYP2C19POLBCYP2C9
SCHEMBL5870323 0.72 GRIA4 (0.42) EPHX1ACEALDH1A1MAPTTP53
SCHEMBL7371223 0.71 CTSK (0.49) ACEALDH1A1MAPTLMNAEPHX2
SCHEMBL7371090 0.71 CTSK (0.49) ACEALDH1A1MAPTLMNAEPHX2
SCHEMBL4449480 0.71 NR4A2 (0.47) EPHX1SMN1; SMN2TP53TSHRMCL1

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 11 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-6958358-B2 administering a cystatin; 4-tert-Butyl-N-[2-(4-hydroxyphenyl)-1S-(3-oxo-hexahydrocyclopenta[b]furan-3a-ylcarbamoyl)-ethyl]benzamide; bioassay for validation of efficacy ; Chagas' disease; parasiticide, trypanocide AMURA THERAPEUTICS LIMITED (GB) 2005-10-25 US disclosed
US-20040127549-A1 Cyclic 2-carbonylaminoketones as inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-07-01 US disclosed
US-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPUTICS LIMITED (GB) 2004-07-01 US disclosed
US-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LIMITED (GB) 2004-06-03 US disclosed
EP-1362042-A1 CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-19 EP disclosed
EP-1358174-A2 INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES Amura Therapeutics Limited (GB) 2003-11-05 EP disclosed
EP-1358176-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
WO-2002057249-A1 CYCLIC 2-CARBONYLAMINOKETONES AS INHIBITORS OF CRUZIPAIN AND OTHER CYSTEINE PROTEASES AMURA THERAPEUTICS LIMITED (GB) 2002-07-25 WO disclosed
WO-2002057246-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 (3 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 EPHX1 1891/4885ACE 973/4885ALDH1A1 3042/4885
US-20040127424-A1 Inhibitors of cruzipain and other cysteine proteases CPN1, CTRL, CPA1 EPHX1 1055/4885ACE 506/4885ALDH1A1 2913/4885
US-20040106805-A1 Inhibitors of cruzipain and other cysteine proteases CTRL, CPN1, CPA1 EPHX1 1509/4885ACE 250/4885ALDH1A1 2942/4885

“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.