SCHEMBL5870538

SCHEMBL5870538

CC1(NC(=O)C(CC2CCCCC2)S(=O)(=O)Cc2ccco2)CC(=O)CO1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
POLB P06746 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GCK P35557 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CTSS P25774 1/20 0.32
HPGD P15428 2/20 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
SCHEMBL5870104 0.81 HPGD (0.38) TSHRPOLBTDP1HTTSMN1; SMN2
SCHEMBL6295807 0.78 TSHR (0.34) TSHRPOLBTDP1SMN1; SMN2USP2
SCHEMBL5870207 0.76 TSHR (0.37) TSHRPOLBTDP1USP2ALDH1A1
SCHEMBL4452957 0.69 CTSS (0.54) TSHRTDP1USP2ALDH1A1GCK
SCHEMBL4449426 0.69 CTSS (0.54) TSHRTDP1USP2ALDH1A1GCK
SCHEMBL13677286 0.69 CTSS (0.54) TSHRTDP1USP2ALDH1A1GCK
SCHEMBL13677361 0.68 CTSS (0.49) TSHRPOLBTDP1ALDH1A1GCK
SCHEMBL4449263 0.68 CTSS (0.49) TSHRPOLBTDP1ALDH1A1GCK
SCHEMBL13677386 0.68 CTSS (0.49) TSHRPOLBTDP1ALDH1A1GCK
SCHEMBL4449272 0.67 CTSV (0.33) TSHRPOLBTDP1USP2GAA

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 2 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

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 TSHR 3128/4885POLB 2537/4885TDP1 2370/4885

“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.