SCHEMBL3909688

SCHEMBL3909688

COC(=O)c1sc(Br)c(Br)c1OCC(=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
ALDH1A1 P00352 6/20 0.46
RAB9A P51151 5/20 0.43
RXFP1 Q9HBX9 2/20 0.42
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6278144 1.00 PTPN1 (0.46) PTPN1ALDH1A1RAB9ARXFP1HPGD
SCHEMBL3910876 0.85 PTPN1 (0.40) PTPN1ALDH1A1RXFP1SMN1; SMN2MAPT
SCHEMBL3906716 0.79 PTPN1 (0.71) PTPN1TSHRMAPTKMT2A
SCHEMBL13867918 0.79 PTPN1 (0.54) PTPN1ALDH1A1HPGDGAATSHR
SCHEMBL3916294 0.79 DPP4 (0.43) PTPN1ALDH1A1
SCHEMBL3906012 0.79 PTPN1 (0.45) PTPN1ALDH1A1HPGDNPSR1TSHR
SCHEMBL3911917 0.75 PTPN1 (0.49) PTPN1ALDH1A1HPGDGAANPSR1
SCHEMBL3908191 0.74 PTPN1 (0.62) PTPN1ALDH1A1HPGDTSHR
SCHEMBL3908251 0.74 PTPN1 (0.48) PTPN1ALDH1A1RAB9AHPGDNPC1
SCHEMBL3906530 0.74 PTPN1 (0.48) PTPN1GAATSHRMAPTMEN1

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 11/4885ALDH1A1 2158/4885RAB9A 2365/4885

“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.