SCHEMBL5493312

SCHEMBL5493312

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nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
CAPN1 P07384 7/20 0.44
PSMB1 P20618 1/20 0.42
PSMB5 P28074 1/20 0.42
PSMB2 P49721 1/20 0.42
CTSB P07858 6/20 0.39
CPA1 P15085 2/20 0.38
CPA2 P48052 2/20 0.38
CPA4 Q9UI42 2/20 0.38
CPB1 P15086 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
CTSL P07711 2/20 0.38
CTSK P43235 1/20 0.37
CTSS P25774 1/20 0.36

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
SCHEMBL5493308 1.00 ALDH1A1 (0.55) ALDH1A1CAPN1PSMB1PSMB5PSMB2
SCHEMBL7510270 0.98 ALDH1A1 (0.53) ALDH1A1CAPN1PSMB1PSMB5PSMB2
SCHEMBL3866137 0.98 ALDH1A1 (0.53) ALDH1A1CAPN1PSMB1PSMB5PSMB2
SCHEMBL9542347 0.98 ALDH1A1 (0.53) ALDH1A1CAPN1PSMB1PSMB5PSMB2
SCHEMBL29536183 0.86 CAPN1 (0.47) ALDH1A1CAPN1PSMB1PSMB5PSMB2
SCHEMBL5570286 0.86 CAPN1 (0.47) ALDH1A1CAPN1PSMB1PSMB5PSMB2
SCHEMBL7039371 0.86 ALDH1A1 (0.47) ALDH1A1PSMB1PSMB5PSMB2CTSB
SCHEMBL7039386 0.86 ALDH1A1 (0.47) ALDH1A1PSMB1PSMB5PSMB2CTSB
SCHEMBL7974645 0.85 ALDH1A1 (0.50) ALDH1A1CAPN1CTSBCTSK
SCHEMBL2995716 0.85 ALDH1A1 (0.50) ALDH1A1CAPN1CTSBCTSK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214664-B2 Peptidyl prodrugs that resist P-glycoprotein mediated drug efflux THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2007-05-08 US disclosed
US-20060135438-A1 Peptidyl prodrugs that resist P-glycoprotein mediated drug efflux NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-06-22 US disclosed
EP-1608410-A2 PHARMICO-GENE THERAPHY OF EPITHELIAL SODIUM CHANNEL ASSOCIATED DISODERS University of Iowa Research Foundation (US) 2005-12-28 EP disclosed
WO-2004089423-A2 PHARMICO-GENE THERAPHY OF EPITHELIAL SODIUM CHANNEL ASSOCIATED DISODERS UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2004-10-21 WO disclosed
EP-0910632-A2 PRESENTATION OF ANTIGEN, INTRODUCED INTO THE CELLS BY STIMULATION OF MACROPINOCYTOSIS THE UNIVERSITY OF DUNDEE, UNIVERSITY COURT (GB) 1999-04-28 EP disclosed
WO-1997023607-A2 PRESENTATION OF ANTIGEN, INTRODUCED INTO CELLS BY STIMULATION OF MACROPINOCYTOSIS THE UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 1997-07-03 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-20060135438-A1 Peptidyl prodrugs that resist P-glycoprotein mediated drug efflux ABCB1, SLC1A5, ABCC1 ALDH1A1 4085/4885CAPN1 723/4885PSMB1 2575/4885

“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.