SCHEMBL6503209

SCHEMBL6503209

COC(=O)c1c(O)cccc1OCCCCNC(=O)CCc1ccc(N)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 16/20 0.68
▸ CNR1 P21554 2/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ PTPN2 P17706 2/20 0.40
▸ PTPRA P18433 1/20 0.40
▸ PTPN22 Q9Y2R2 1/20 0.40

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
SCHEMBL6533772 0.81 PTPN1 (1.00) PTPN1PTPN2PTPRA
SCHEMBL5987359 0.78 PTPN1 (0.53) PTPN1CNR1CNR2PTPN22
SCHEMBL6501815 0.76 PTPN1 (0.83) PTPN1PTPN2PTPRA
SCHEMBL3742580 0.74 PTPN1 (0.49) PTPN1PTPN2PTPN22
SCHEMBL3737900 0.71 PTPN1 (0.47) PTPN1CNR1CNR2PTPN22
SCHEMBL3735898 0.71 CA12 (0.57) PTPN1PTPN22
SCHEMBL3742594 0.71 PTPN1 (0.47) PTPN1PTPN22
SCHEMBL2892290 0.71 PTPN1 (0.61) PTPN1PTPN22
SCHEMBL6492009 0.70 PTPN1 (0.77) PTPN1PTPN2PTPRA
Hydrochloric Acid SCHEMBL5892682 0.70 CA12 (0.56) 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 10/4885CNR1 3685/4885CNR2 4609/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D PTPN1 10/4885CNR1 3685/4885CNR2 4609/4885

“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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