SCHEMBL6494359

SCHEMBL6494359

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Nc2ccccc2C(=O)O)cc1)C(=O)OCC[Si](C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.46
CTSK P43235 6/20 0.46
CTSB P07858 2/20 0.46
CTSL P07711 1/20 0.46
PTPN1 P18031 3/20 0.43
PTPRA P18433 1/20 0.43
ACE P12821 1/20 0.43
KLK5 Q9Y337 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
EPHX2 P34913 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
AKT1 P31749 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
REN P00797 1/20 0.41

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
SCHEMBL7151890 0.95 CTSS (0.42) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL6500636 0.86 ALDH1A1 (0.46) CTSLPTPN1PTPRAMAPTTDP1
SCHEMBL7062136 0.79 PTPN1 (0.67) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL12718127 0.77 CTSS (0.48) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL8070826 0.74 ACE (0.53) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL7494181 0.74 CTSS (0.63) CTSSCTSKCTSBCTSLPTPN1
SCHEMBL14303311 0.74 NAMPT (0.54) CTSKCTSLMAPTTDP1
SCHEMBL18360378 0.74 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL7612863 0.74 CTSS (0.49) CTSSCTSKCTSBCTSLACE
SCHEMBL20669513 0.74 PPARA (0.64) CTSSCTSKCTSBCTSLPTPN1

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-6972340-B2 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES (US) 2005-12-06 US disclosed
WO-2003072537-A2 SELECTIVE PROTEIN TYROSINE PHOSPHATATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-09-04 WO disclosed
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES 2002-11-14 US disclosed
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors ABBVIE INC. 2002-06-13 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 (2 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-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D CTSS 2380/4885CTSK 2543/4885CTSB 1642/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D CTSS 2380/4885CTSK 2543/4885CTSB 1642/4885

“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.