SCHEMBL5424670

SCHEMBL5424670

CCCC(NC(=O)C(CS(=O)(=O)Cc1ccccc1)CS(=O)(=O)Cc1ccccc1)[C@H](O)c1nc2ccccc2o1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.41
PTPN2 P17706 9/20 0.41
ALDH1A1 P00352 2/20 0.39
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CTSS P25774 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
SCHEMBL5424669 1.00 PTPN1 (0.41) PTPN1PTPN2ALDH1A1HDAC3HDAC4
SCHEMBL6702111 0.91 PTPN1 (0.38) PTPN1PTPN2ALDH1A1MAPTHPGD
SCHEMBL6695966 0.91 PTPN1 (0.38) PTPN1PTPN2ALDH1A1MAPTHPGD
SCHEMBL6632738 0.91 PTPN1 (0.38) PTPN1PTPN2ALDH1A1MAPTHPGD
SCHEMBL6702107 0.91 PTPN1 (0.38) PTPN1PTPN2ALDH1A1MAPTHPGD
SCHEMBL6630202 0.91 PTPN1 (0.38) PTPN1PTPN2ALDH1A1MAPTHPGD
SCHEMBL6695960 0.91 PTPN1 (0.38) PTPN1PTPN2ALDH1A1MAPTHPGD
SCHEMBL6062007 0.89 PTPN1 (0.37) PTPN1PTPN2ALDH1A1CTSS
SCHEMBL6062004 0.89 PTPN1 (0.37) PTPN1PTPN2ALDH1A1CTSS
SCHEMBL6632610 0.89 PTPN1 (0.37) PTPN1PTPN2ALDH1A1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE PTPN1 2698/4885PTPN2 2893/4885ALDH1A1 4046/4885

“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.