SCHEMBL5870608

SCHEMBL5870608

CC(C)CC(C(=O)O)S(=O)(=O)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 6/20 0.48
ACE P12821 6/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
RORC P51449 6/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
PTGS2 P35354 1/20 0.44
ADAMTS4 O75173 1/20 0.43
NR1I2 O75469 1/20 0.43
RORA P35398 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
RORB Q92753 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43

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
SCHEMBL5870622 0.83 PPARG (0.44) MMP2
SCHEMBL5870323 0.82 GRIA4 (0.42) ACEALDH1A1MAPTNR1H4
SCHEMBL10800445 0.74 CA1 (0.44) ALDH1A1HPGDMMP1MMP2MMP9
SCHEMBL11829478 0.71 MMP12 (0.53) MMEACECPA1ACE2MMP2
SCHEMBL5172068 0.71 MME (0.56) MMEACECPA1ACE2ALDH1A1
SCHEMBL6969744 0.70 ACE (0.48) MMEACECPA1ACE2ALDH1A1
SCHEMBL15251696 0.70 ALDH1A1 (0.55) MMEALDH1A1MMP1MMP2MMP3
SCHEMBL15251810 0.70 ALDH1A1 (0.55) MMEALDH1A1MMP1MMP2MMP3
SCHEMBL5870279 0.70 PPARG (0.55) MMEACECPA1ACE2
SCHEMBL8248574 0.70 MME (0.65) MMEACECPA1ACE2

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 MME 106/4885ACE 506/4885CPA1 3/4885

“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.