SCHEMBL6500636

SCHEMBL6500636

C=CCOC(=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
ALDH1A1 P00352 2/20 0.46
PTPN1 P18031 3/20 0.41
PTPRF P10586 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPRA P18433 1/20 0.41
CASP1 P29466 11/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
TEAD4 Q15561 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FABP4 P15090 1/20 0.37
PPARG P37231 1/20 0.37
CTSV O60911 1/20 0.36
CTSL P07711 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
SCHEMBL6494359 0.86 CTSS (0.46) PTPN1PTPRAMAPTTDP1CTSL
SCHEMBL7151890 0.81 CTSS (0.42) PTPN1PTPRAMAPTTDP1CTSL
SCHEMBL7063037 0.81 PTPN1 (0.51) ALDH1A1PTPN1PTPRFPTPN2PTPRA
SCHEMBL6494034 0.79 MEN1 (0.45) ALDH1A1MEN1KMT2AMAPTTEAD4
SCHEMBL29466819 0.73 CTSL (0.61) ALDH1A1CTSL
SCHEMBL13205568 0.72 ALDH1A1 (0.61) ALDH1A1CASP1CTSL
SCHEMBL6503580 0.72 CDC25B (0.47) PTPN1MEN1KMT2ARECQLFABP4
SCHEMBL13205564 0.72 ALDH1A1 (0.67) ALDH1A1CASP1
SCHEMBL10458275 0.72 ALDH1A1 (0.67) ALDH1A1CASP1
SCHEMBL10458277 0.72 ALDH1A1 (0.67) ALDH1A1CASP1

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 ALDH1A1 3095/4885PTPN1 10/4885PTPRF 37/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D ALDH1A1 3095/4885PTPN1 10/4885PTPRF 37/4885

“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.