SCHEMBL3906321

SCHEMBL3906321

C[C@@H]1CN(C(=O)c2sc(Br)c(Br)c2OCC(=O)O)C[C@H](C)O1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.56
HPGD P15428 4/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 2/20 0.38
PTPRC P08575 2/20 0.38
PTPN2 P17706 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL3915624 1.00 PTPN1 (0.56) PTPN1HPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL3916044 0.88 PTPN1 (0.41) PTPN1HPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL6278067 0.81 HPGD (0.40) HPGDALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL3906028 0.79 PTPN1 (0.59) PTPN1HPGDALDH1A1LMNAPTPRC
SCHEMBL3908191 0.79 PTPN1 (0.62) PTPN1HPGDALDH1A1LMNAPTPRC
SCHEMBL3910014 0.78 PTPN1 (0.61) PTPN1KMT2APTPRCPTPN2
SCHEMBL3903300 0.73 PTPN1 (1.00) PTPN1PTPRCPTPN2
SCHEMBL3906716 0.71 PTPN1 (0.71) PTPN1KMT2APTPRCPTPN2HSD17B10
SCHEMBL3907174 0.70 PTPN1 (0.76) PTPN1PTPRCPTPN2
SCHEMBL6262341 0.70 PTPN1 (0.76) PTPN1KMT2APTPRCPTPN2

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 11/4885HPGD 3417/4885ALDH1A1 2158/4885

“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.