SCHEMBL5720737

SCHEMBL5720737

CS(=O)(=O)N(c1ccccc1)c1cc(C(=O)O)cc(-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.46
CTSD P07339 1/20 0.45
BACE1 P56817 1/20 0.45
BACE2 Q9Y5Z0 1/20 0.45
KMO O15229 1/20 0.44
FABP1 P07148 1/20 0.41
P2RY14 Q15391 1/20 0.41
EGFR P00533 1/20 0.41
PKM P14618 1/20 0.39
MCL1 Q07820 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
ALOX5 P09917 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37

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
SCHEMBL7863476 0.84 KMT2A (0.43) CTSDBACE1BACE2
SCHEMBL5928621 0.84 TPMT (0.47) CTSDBACE1BACE2RXRARXRB
SCHEMBL5720746 0.82 ALDH1A1 (0.40) CTSDBACE1BACE2PKM
SCHEMBL5720761 0.82 RECQL (0.39) CTSDBACE1BACE2
SCHEMBL5720785 0.81 ALDH1A1 (0.47) CTSDBACE1BACE2KMO
SCHEMBL5720846 0.81 ACMSD (0.40) CTSDBACE1BACE2
SCHEMBL5720745 0.80 ACMSD (0.41) CTSDBACE1BACE2
SCHEMBL5720783 0.80 TAS2R14 (0.39) CTSDBACE1BACE2
SCHEMBL13229343 0.80 TSHR (0.45) CTSDBACE1BACE2PKM
SCHEMBL894882 0.79 TSHR (0.46) MCL1ALOX5

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-20060211740-A1 Novel compounds GLAXO GROUP LIMITED 2006-09-21 US claimed
US-20060211740-A1 Novel compounds GLAXO GROUP LIMITED 2006-09-21 US disclosed
EP-1611089-A2 HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2006-01-04 EP disclosed
WO-2004080376-A2 HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-09-23 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-20060211740-A1 Novel compounds BACE2, BACE1, PSEN2 DHODH 4445/4885CTSD 366/4885BACE1 2/4885

“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.