SCHEMBL5870374

SCHEMBL5870374

CC1OCC(=O)C1NC(=O)C(CC1CCCCC1)OCc1ccco1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSS P25774 3/20 0.36
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSK P43235 2/20 0.33
GPR88 Q9GZN0 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
CTSB P07858 1/20 0.33
CTSL P07711 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL5870430 0.86 CTSS (0.42) CTSSCTSKMETAP2METAP1CTSB
SCHEMBL5870539 0.83 SLC1A3 (0.34) TSHRMEN1KMT2ACTSSSLC1A3
SCHEMBL5870624 0.83 CTSC (0.43) MEN1KMT2ACTSSHPGDSLC1A3
SCHEMBL5870360 0.81 ALDH1A1 (0.40) TSHRCTSSHPGDTDP1ALDH1A1
SCHEMBL5870207 0.81 TSHR (0.37) TSHRCTSSPOLBTDP1ALDH1A1
SCHEMBL5870575 0.81 CTSS (0.37) CTSSALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL5870311 0.79 C5AR1 (0.38) CTSSSMN1; SMN2CTSKMETAP2METAP1
SCHEMBL14347626 0.73 NAAA (0.40) CTSSMETAP2METAP1CTSL
Hydrochloric Acid SCHEMBL5627174 0.72 NAAA (0.39) CTSSMETAP2METAP1CTSL
Hydrochloric Acid SCHEMBL5627163 0.72 NAAA (0.39) CTSSMETAP2METAP1CTSL

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 TSHR 3128/4885MEN1 2979/4885KMT2A 4012/4885

“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.