SCHEMBL3909356

SCHEMBL3909356

COC(=O)c1sc(-c2cccc(N(C)C3CCCCC3)c2)c(C)c1OCC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.36
RXFP1 Q9HBX9 4/20 0.34
TP53 P04637 3/20 0.34
LMNA P02545 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1H4 Q96RI1 2/20 0.32
MAP4K4 O95819 1/20 0.32
CACNA1B Q00975 1/20 0.32
CTSK P43235 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL3909755 0.91 PTPN1 (0.46) PTPN1
SCHEMBL3911855 0.90 MAP4K4 (0.37) PTPN1RXFP1TP53LMNAALDH1A1
SCHEMBL3906664 0.90 MAP4K4 (0.37) PTPN1RXFP1TP53LMNAALDH1A1
SCHEMBL3906841 0.88 PTPN1 (0.38) PTPN1ALOX5APFEN1ALDH1A1NR1H4
SCHEMBL3906898 0.88 PTPN1 (0.34) PTPN1ALOX5APFEN1NR1H4CACNA1B
SCHEMBL3907660 0.86 PTPN1 (0.37) PTPN1ALDH1A1NR1H4CACNA1B
SCHEMBL3904730 0.85 PTPN1 (0.38) PTPN1RXFP1TP53LMNAGAA
SCHEMBL3908053 0.83 NR1H4 (0.37) PTPN1NR1H4CACNA1BCTSK
SCHEMBL3904787 0.83 PTPN1 (0.35) PTPN1ALDH1A1NR1H4CACNA1BCTSK
SCHEMBL3909895 0.82 PTPN1 (0.39) PTPN1CTSK

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 11/4885RXFP1 4103/4885TP53 1645/4885

“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.