SCHEMBL6504053

SCHEMBL6504053

O=C(O)c1c(O)cc(-c2ccccc2)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 3/20 0.59
HNF4A P41235 2/20 0.59
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
DHFR P00374 1/20 0.53
MCL1 Q07820 1/20 0.53
ALOX5 P09917 1/20 0.52
EGFR P00533 1/20 0.52
PTPN1 P18031 2/20 0.50
AKR1C2 P52895 3/20 0.48
AKR1C1 Q04828 3/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
PTPN2 P17706 1/20 0.47
PTPN6 P29350 1/20 0.47
CRHBP P24387 2/20 0.47

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
SCHEMBL9857904 0.86 CYP3A4 (0.58) ACMSDHNF4ACA12CA1CA2
SCHEMBL25838444 0.83 ACMSD (0.47) ACMSDHNF4ACA12CA1CA2
SCHEMBL9857114 0.82 FABP3 (0.49) ACMSDHNF4ACA1CA2DHFR
SCHEMBL9857652 0.79 PTPN1 (0.49) ACMSDHNF4ADHFRMCL1ALOX5
SCHEMBL6505800 0.78 CA12 (0.62) ACMSDHNF4ACA12CA1CA2
SCHEMBL31457344 0.77 PTPN1 (0.60) ACMSDHNF4ADHFRMCL1EGFR
SCHEMBL4254028 0.77 PTPN1 (0.60) ACMSDHNF4ADHFRMCL1EGFR
SCHEMBL2882724 0.76 KDM4E (0.47) EGFRPTPN1AKR1C2AKR1C1KMO
SCHEMBL505832 0.76 AKR1C2 (0.61) ACMSDHNF4ADHFRMCL1EGFR
SCHEMBL5787358 0.76 AKR1C2 (0.61) EGFRPTPN1AKR1C2AKR1C1KMO

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 7 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
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 ACMSD 3674/4885HNF4A 4120/4885CA12 3216/4885
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D ACMSD 4861/4885HNF4A 3608/4885CA12 3698/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D ACMSD 4861/4885HNF4A 3608/4885CA12 3698/4885

“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.