SCHEMBL3912295

SCHEMBL3912295

COC(=O)c1sc(Br)c(Br)c1OCC(=O)NCCNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 2/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EPHX1 P07099 1/20 0.33
FPR3 P25089 2/20 0.32
FPR2 P25090 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GFER P55789 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 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
SCHEMBL3906530 0.82 PTPN1 (0.48) PTPN1KMT2AMEN1MAPTHSD17B10
SCHEMBL3908251 0.79 PTPN1 (0.48) PTPN1TDP1KMT2AMEN1MAPT
SCHEMBL3906569 0.77 ALDH1A1 (0.49) PTPN1KMT2AMEN1MAPTHSD17B10
SCHEMBL3912303 0.77 PTPN1 (0.39) PTPN1KMT2AMAPTHSD17B10TSHR
SCHEMBL6262512 0.75 PTPN1 (0.40) PTPN1KMT2AMAPTHSD17B10GAA
SCHEMBL3906716 0.75 PTPN1 (0.71) PTPN1KMT2AMAPTHSD17B10TSHR
SCHEMBL13867918 0.75 PTPN1 (0.54) PTPN1KMT2AMEN1MAPTHSD17B10
SCHEMBL3907240 0.71 PTPN1 (0.45) PTPN1KMT2AMAPTHSD17B10GAA
SCHEMBL3911917 0.70 PTPN1 (0.49) PTPN1KMT2AMEN1MAPTHSD17B10
SCHEMBL3908605 0.70 PTPN1 (0.46) PTPN1KMT2AMEN1MAPTHSD17B10

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 11/4885TDP1 1393/4885CA1 4542/4885

“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.