SCHEMBL6503580

SCHEMBL6503580

COC(=O)NC(Cc1ccc(Nc2ccccc2C(=O)O)c2ccccc12)C(=O)OCC[Si](C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 8/20 0.47
PTPN1 P18031 2/20 0.41
KDM4E B2RXH2 1/20 0.38
APAF1 O14727 1/20 0.38
RECQL P46063 1/20 0.38
CASP6 P55212 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
MCL1 Q07820 1/20 0.38
CASP8 Q14790 1/20 0.38
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38
TACR1 P25103 1/20 0.37
FABP4 P15090 2/20 0.37
FABP3 P05413 1/20 0.37
FABP5 Q01469 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CLCN2 P51788 1/20 0.35
PPARG P37231 2/20 0.35

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
SCHEMBL6504039 0.80 TACR1 (0.42) PTPN1TACR1MEN1KMT2APPARG
SCHEMBL6504000 0.77 TACR1 (0.39) PTPN1KDM4ETACR1MEN1KMT2A
SCHEMBL6494669 0.76 PTPN1 (0.55) PTPN1TACR1
SCHEMBL11801580 0.74 CDC25B (0.59) CDC25BKDM4EAPAF1RECQLCASP6
SCHEMBL6494359 0.73 CTSS (0.46) PTPN1KDM4E
SCHEMBL6500636 0.72 ALDH1A1 (0.46) PTPN1RECQLFABP4MEN1KMT2A
SCHEMBL7151890 0.70 CTSS (0.42) PTPN1KDM4E
SCHEMBL6503894 0.69 PTPN1 (0.46) PTPN1KDM4ETACR1
SCHEMBL7061206 0.69 PTPN1 (0.66) PTPN1MEN1KMT2A
SCHEMBL6494034 0.68 MEN1 (0.45) RECQLFABP4MEN1KMT2A

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 8 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
EP-1313696-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-05-28 EP disclosed
WO-2003020688-A1 SELECTIVE PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-03-13 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
US-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors ABBOTT LABORATORIES 2002-03-21 US disclosed
WO-2002018323-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2002-03-07 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 (3 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-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors PPM1A, PTPRO, PTP4A1 CDC25B 120/4885PTPN1 10/4885KDM4E 2015/4885
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D CDC25B 133/4885PTPN1 10/4885KDM4E 2738/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D CDC25B 133/4885PTPN1 10/4885KDM4E 2738/4885

“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.