SCHEMBL3907261

SCHEMBL3907261

CCOC(=O)COc1c(C(=O)OC)sc(-c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)c1Br

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.59
TCF4 P15884 1/20 0.48
CTNNB1 P35222 1/20 0.48
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP19A1 P11511 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
PFKFB4 Q16877 1/20 0.45
AKT1 P31749 1/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
BRD4 O60885 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL3914591 0.93 PTPN1 (0.61) PTPN1
SCHEMBL3907041 0.93 PTPN1 (0.57) PTPN1TCF4CTNNB1ALDH1A1LMNA
SCHEMBL3919897 0.93 PTPN1 (0.70) PTPN1ALDH1A1LMNAPKMHPGD
SCHEMBL3907226 0.91 PTPN1 (0.57) PTPN1ALDH1A1LMNAPKMHPGD
SCHEMBL3916525 0.91 PTPN1 (0.58) PTPN1LMNATP53
SCHEMBL3907980 0.88 PTPN1 (0.54) PTPN1
SCHEMBL3908429 0.87 PTPN1 (0.53) PTPN1LMNATP53
SCHEMBL3908878 0.86 PTPN1 (0.58) PTPN1
SCHEMBL3916165 0.84 PTPN1 (0.48) PTPN1
SCHEMBL3907399 0.84 PTPN1 (0.64) PTPN1ALDH1A1HPGDSMN1; SMN2

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 11/4885TCF4 2483/4885CTNNB1 3357/4885

“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.