SCHEMBL6503304

SCHEMBL6503304

COC(=O)c1c(OCCCCNC(=O)OC(C)(C)C)ccc(-c2ccccc2)c1O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 17/20 0.48
▸ PTPN22 Q9Y2R2 5/20 0.48
▸ PTPRA P18433 1/20 0.46
▸ CA12 O43570 3/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA9 Q16790 3/20 0.43

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
SCHEMBL6494744 0.83 CA12 (0.49) PTPN1PTPN22PTPRACA12CA1
SCHEMBL2892290 0.81 PTPN1 (0.61) PTPN1PTPN22
SCHEMBL2895010 0.79 PTPN1 (0.51) PTPN1PTPN22
SCHEMBL23318052 0.78 PTPN1 (0.49) PTPN1PTPN22CA12CA1CA2
SCHEMBL22280882 0.77 CA12 (0.49) PTPN1CA12CA1CA2CA9
SCHEMBL7048076 0.76 PTPN1 (0.57) PTPN1PTPN22
SCHEMBL19975481 0.76 CA12 (0.52) CA12CA1CA2CA9
SCHEMBL3468734 0.74 CA1 (0.56) PTPN1PTPN22CA12CA1CA2
SCHEMBL19667608 0.74 PTPN1 (0.54) PTPN1PTPN22CA12CA1CA2
SCHEMBL3927385 0.73 PTPN1 (0.54) PTPN1PTPN22

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 PTPN1 10/4885PTPN22 33/4885PTPRA 59/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D PTPN1 10/4885PTPN22 33/4885PTPRA 59/4885

“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.

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