SCHEMBL3906559

SCHEMBL3906559

COC(=O)COc1c(C(=O)N2CCSCC2)sc(Br)c1Br

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.44
KMT2A Q03164 3/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
HSP90AA1 P07900 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL3906012 0.89 PTPN1 (0.45) PTPN1KMT2AHPGDMEN1CYP1A2
SCHEMBL3915794 0.87 POLB (0.44) PTPN1KMT2AHPGDTSHRALDH1A1
SCHEMBL3910014 0.86 PTPN1 (0.61) PTPN1KMT2A
SCHEMBL3916044 0.80 PTPN1 (0.41) PTPN1KMT2AHPGDMEN1CYP1A2
SCHEMBL3908645 0.77 PTPN1 (0.71) PTPN1
SCHEMBL3907330 0.76 PTPN1 (0.53) PTPN1KMT2AMEN1CYP1A2TSHR
SCHEMBL3913925 0.76 PTPN1 (0.53) PTPN1KMT2AHPGDMEN1CYP1A2
SCHEMBL3910089 0.75 PTPN1 (0.51) PTPN1KMT2AMEN1CYP1A2TSHR
SCHEMBL3916039 0.75 PTPN1 (0.51) PTPN1KMT2AMEN1CYP1A2TSHR
SCHEMBL3908191 0.74 PTPN1 (0.62) PTPN1HPGDTSHRALDH1A1POLB

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 11/4885KMT2A 2996/4885HPGD 3417/4885

“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.