SCHEMBL6505800

SCHEMBL6505800

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA7 P43166 1/20 0.62
CA9 Q16790 1/20 0.62
CA14 Q9ULX7 1/20 0.62
EGFR P00533 1/20 0.59
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 3/20 0.50
HTT P42858 1/20 0.49
CYP3A4 P08684 2/20 0.49
ACHE P22303 1/20 0.49
TSHR P16473 2/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PRKCZ Q05513 1/20 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
SCHEMBL5620370 0.84 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL30638614 0.80 DHODH (0.49) CA12CA1CA2CA7CA9
SCHEMBL5785183 0.80 LMNA (0.49) CA12CA1CA2CA7CA9
SCHEMBL11323927 0.80 EGFR (0.54) CA12CA1CA2CA7CA9
SCHEMBL21681991 0.79 ACMSD (0.66) CA12CA1CA2CA7CA9
SCHEMBL17264239 0.79 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL9049651 0.79 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL6504053 0.78 ACMSD (0.59) CA12CA1CA2CA7CA9
SCHEMBL28726425 0.78 TSHR (0.53) EGFRKDM4EHSD17B10LMNATSHR
SCHEMBL1519936 0.78 CA12 (1.00) CA12CA1CA2CA7CA9

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 5 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
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

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 CA12 3698/4885CA1 2248/4885CA2 1436/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D CA12 3698/4885CA1 2248/4885CA2 1436/4885

“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.