SCHEMBL3905792

SCHEMBL3905792

CCOC(=O)COc1c(C(=O)OC)sc(-c2ccc(NC(=O)NC(C)C)cc2)c1C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.54
MAPT P10636 5/20 0.39
RAF1 P04049 1/20 0.37
ALDH1A1 P00352 2/20 0.37
EPHX2 P34913 1/20 0.37
GRM6 O15303 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NAMPT P43490 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
PKM P14618 1/20 0.36
FPR2 P25090 1/20 0.36

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
SCHEMBL3911369 0.91 PTPN1 (0.67) PTPN1FPR2
SCHEMBL3908336 0.82 PTPN1 (0.43) PTPN1MAPTALDH1A1GRM6MEN1
SCHEMBL3915170 0.81 GRM6 (0.48) PTPN1MAPTALDH1A1GRM6NPSR1
SCHEMBL3905379 0.81 PTPN1 (0.79) PTPN1
SCHEMBL3907886 0.78 PTPN1 (0.67) PTPN1MAPTTP53
SCHEMBL3908423 0.78 PTPN1 (0.51) PTPN1MAPTKDM4E
SCHEMBL3908176 0.78 PTPN1 (0.50) PTPN1
SCHEMBL3909580 0.77 PTPN1 (0.58) PTPN1
SCHEMBL3911409 0.75 PTPN1 (0.48) PTPN1MAPTALDH1A1GRM6MEN1
SCHEMBL13867883 0.72 PTPN1 (0.51) 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 11/4885MAPT 3976/4885RAF1 1294/4885

“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.