SCHEMBL5870104

SCHEMBL5870104

CC1(NC(=O)C(CC2CCCCC2)SCc2ccco2)CC(=O)CO1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 3/20 0.36
POLB P06746 3/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
CTSS P25774 2/20 0.33
USP2 O75604 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CTSL P07711 1/20 0.32
CTSK P43235 1/20 0.32
GPR88 Q9GZN0 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL5870538 0.81 TSHR (0.37) HPGDALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL6300518 0.78 ALDH1A1 (0.38) HPGDALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL5870316 0.76 ALDH1A1 (0.46) HPGDALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL4448207 0.76 ALDH1A1 (0.46) HPGDALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL5870320 0.76 ALDH1A1 (0.46) HPGDALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL5870360 0.76 ALDH1A1 (0.40) HPGDALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL7020376 0.69 ALDH1A1 (0.40) HPGDALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL6803715 0.69 CTSS (0.56) HPGDALDH1A1SMN1; SMN2TDP1CTSS
SCHEMBL4452935 0.68 CTSS (0.51) HPGDALDH1A1SMN1; SMN2TDP1GAA
SCHEMBL13677357 0.68 CTSS (0.51) HPGDALDH1A1SMN1; SMN2TDP1GAA

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 HPGD 2487/4885ALDH1A1 2913/4885SMN1; SMN2 3151/4885

“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.