SCHEMBL3914769

SCHEMBL3914769

COC(=O)c1sc(-c2cccc(N(CC3CCCCC3)C(=O)NCCc3ccccc3)c2)c(C)c1OCC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.36
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
QPCT Q16769 4/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
EPHX2 P34913 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PKM P14618 1/20 0.33
KLF5 Q13887 1/20 0.33
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
F7 P08709 1/20 0.32

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
SCHEMBL3910533 0.93 PTPN1 (0.37) PTPN1QPCTNPC1RAB9A
SCHEMBL3909895 0.89 PTPN1 (0.39) PTPN1CTSK
SCHEMBL3908053 0.88 NR1H4 (0.37) PTPN1CTSK
SCHEMBL3907660 0.87 PTPN1 (0.37) PTPN1
SCHEMBL3908422 0.86 PTPN1 (0.49) PTPN1
SCHEMBL3908905 0.86 PTPN1 (0.44) PTPN1
SCHEMBL3906841 0.85 PTPN1 (0.38) PTPN1CTSK
SCHEMBL3904787 0.84 PTPN1 (0.35) PTPN1CTSK
SCHEMBL3909659 0.83 PTPN1 (0.44) PTPN1
SCHEMBL6267821 0.83 PTPN1 (0.36) PTPN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 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 (1 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-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRO, PTPRS, PTPRM PTPN1 11/4885OPRD1 4450/4885OPRK1 4691/4885

“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.