SCHEMBL4126773

SCHEMBL4126773

O=C(O)COc1c(C(=O)O)sc2cc(OCc3ccccc3)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.59
PTPN1 P18031 8/20 0.59
PTPN2 P17706 2/20 0.51
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PTPRC P08575 1/20 0.45
SENP5 Q96HI0 2/20 0.45
SENP2 Q9HC62 2/20 0.45
SENP1 Q9P0U3 2/20 0.45
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
NR4A2 P43354 2/20 0.45
NR4A1 P22736 1/20 0.45
NR4A3 Q92570 1/20 0.45
P2RY14 Q15391 1/20 0.45
HPGD P15428 1/20 0.44
MDH2 P40926 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL9375405 0.85 EDNRA (0.58) EDNRAALDH1A1KDM4ESENP5SENP2
SCHEMBL4135388 0.83 PTPN1 (0.53) EDNRAPTPN1PTPN2ALDH1A1KDM4E
SCHEMBL15211382 0.80 NR4A2 (0.53) PTPN1PTPN2ALDH1A1PPARGNR4A2
SCHEMBL4125811 0.80 PTPN1 (0.55) PTPN1PTPN2PTPRC
SCHEMBL11844857 0.79 PTPN1 (0.76) PTPN1PTPN2ALDH1A1KDM4EPTPRC
SCHEMBL4634967 0.79 EDNRA (0.54) EDNRAPTPN1PTPN2ALDH1A1KDM4E
SCHEMBL4126003 0.79 EDNRA (0.47) EDNRAPTPN1KDM4ESENP5SENP2
SCHEMBL4119836 0.78 PTPN1 (0.51) PTPN1PTPN2SENP5SENP2SENP1
SCHEMBL4634951 0.78 KDM4E (0.67) EDNRAPTPN1PTPN2ALDH1A1KDM4E
SCHEMBL4126226 0.77 PTPN1 (0.52) PTPN1PTPN2PTPRC

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081960-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 (2 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-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM EDNRA 3588/4885PTPN1 11/4885PTPN2 23/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM EDNRA 3588/4885PTPN1 11/4885PTPN2 23/4885

“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.