SCHEMBL5870481

SCHEMBL5870481

O=C(O)C(CC1CCCCC1)Sc1ccco1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.37
METAP2 P50579 1/20 0.36
METAP1 P53582 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
DPEP1 P16444 1/20 0.35
EPHX2 P34913 2/20 0.35
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL5870483 1.00 CTSS (0.37) CTSSALDH1A1HPGDMETAP2METAP1
SCHEMBL5870320 0.79 ALDH1A1 (0.46) CTSSALDH1A1HPGDSMN1; SMN2
SCHEMBL5870316 0.79 ALDH1A1 (0.46) CTSSALDH1A1HPGDSMN1; SMN2
SCHEMBL4448207 0.79 ALDH1A1 (0.46) CTSSALDH1A1HPGDSMN1; SMN2
SCHEMBL4276618 0.75 POLB (0.43) ALDH1A1SMN1; SMN2CPA1
SCHEMBL5870484 0.73 HPGD (0.44) ALDH1A1HPGDSMN1; SMN2
SCHEMBL4835796 0.69 KIF11 (0.49) METAP2METAP1MMEACECPA1
SCHEMBL7312766 0.69 ALDH1A1 (0.50) CTSSALDH1A1HPGDSMN1; SMN2ATM
SCHEMBL4272442 0.66 MAP2K7 (0.45) ALDH1A1SMN1; SMN2
SCHEMBL8186098 0.66 ALDH1A1 (0.37) ALDH1A1HPGDSMN1; SMN2

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 CTSS 24/4885ALDH1A1 2913/4885HPGD 2487/4885

“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.