SCHEMBL3908346

SCHEMBL3908346

CCOC(=O)COc1c(C(=O)OC)sc(-c2cccc(NCc3ccccc3)c2)c1C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.55
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
MGLL Q99685 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
PLA2G1B P04054 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3916559 0.92 PTPN1 (0.47) PTPN1HIF1AFFAR1
SCHEMBL3913229 0.91 PTPN1 (0.49) PTPN1FFAR1
SCHEMBL3913887 0.91 PTPN1 (0.68) PTPN1
SCHEMBL3913033 0.89 PTPN1 (0.43) PTPN1MEN1KMT2AMAPTMGLL
SCHEMBL3915170 0.86 GRM6 (0.48) PTPN1MAPTALDH1A1HPGDKDM4E
SCHEMBL3906646 0.85 PTPN1 (0.60) PTPN1
SCHEMBL3910794 0.85 PTPN1 (0.60) PTPN1
SCHEMBL3914739 0.85 PTPN1 (0.59) PTPN1
SCHEMBL3907373 0.85 PTPN1 (0.59) PTPN1
SCHEMBL3908878 0.84 PTPN1 (0.58) 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 11/4885CA1 4542/4885CA2 2246/4885

“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.