SCHEMBL3908457

SCHEMBL3908457

COC(=O)c1sc(Br)c(Br)c1OCC(=O)NCCN

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.46
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 3/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
LGALS1 P09382 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
SCHEMBL3912295 0.82 PTPN1 (0.41) PTPN1GAAL3MBTL1KMT2AMAPT
SCHEMBL3906569 0.82 ALDH1A1 (0.49) PTPN1GAAL3MBTL1KMT2AMAPT
SCHEMBL13867918 0.79 PTPN1 (0.54) PTPN1GAAL3MBTL1KMT2AMAPT
SCHEMBL3906716 0.79 PTPN1 (0.71) PTPN1KMT2AMAPTHSD17B10TSHR
SCHEMBL3908251 0.79 PTPN1 (0.48) PTPN1GAAL3MBTL1KMT2AMAPT
SCHEMBL3907240 0.76 PTPN1 (0.45) PTPN1GAAL3MBTL1KMT2AMAPT
SCHEMBL3911917 0.75 PTPN1 (0.49) PTPN1GAAL3MBTL1KMT2AMAPT
SCHEMBL3909688 0.72 PTPN1 (0.46) PTPN1GAAL3MBTL1KMT2AMAPT
SCHEMBL6278144 0.72 PTPN1 (0.46) PTPN1GAAL3MBTL1KMT2AMAPT
SCHEMBL6266995 0.71 PTPN1 (0.45) PTPN1GAAL3MBTL1KMT2AMAPT

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 11/4885GAA 920/4885L3MBTL1 2391/4885

“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.