SCHEMBL4120104

SCHEMBL4120104

COc1ccc(-c2ccc3c(OCC(=O)O)c(C(=O)O)sc3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.60
PTPN2 P17706 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTPRC P08575 2/20 0.44
PPARD Q03181 1/20 0.43
ESR1 P03372 1/20 0.43
LIMK1 P53667 1/20 0.43
PRSS12 P56730 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
SCHEMBL4125811 0.89 PTPN1 (0.55) PTPN1PTPN2PTPRC
SCHEMBL4125670 0.88 PTPN1 (0.58) PTPN1PTPN2PTPRCESR1
SCHEMBL4126654 0.86 PTPN1 (0.59) PTPN1PTPN2PTPRC
SCHEMBL4118805 0.86 PTPN1 (0.61) PTPN1PTPN2PTPRCPPARDESR1
SCHEMBL4127187 0.83 PTPN1 (0.44) PTPN1PTPN2PTPRCESR1LIMK1
SCHEMBL4131016 0.83 MCL1 (0.48) PTPN1PTPN2SMN1; SMN2PTPRCLIMK1
SCHEMBL4128131 0.82 PTPN1 (0.44) PTPN1PTPN2HPGDPTPRC
SCHEMBL4126876 0.82 PTPN1 (0.59) PTPN1PTPN2PTPRC
SCHEMBL4126991 0.82 PTPN1 (0.63) PTPN1PTPN2PTPRCLIMK1
SCHEMBL4118995 0.81 PTPN1 (0.47) PTPN1PTPN2PTPRCESR1

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-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 PTPN1 11/4885PTPN2 23/4885KDM4E 899/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM PTPN1 11/4885PTPN2 23/4885KDM4E 899/4885

“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.