SCHEMBL4131579

SCHEMBL4131579

Cc1ccc2c(OCC(=O)O)c(C(=O)O)sc2n1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
PKM P14618 1/20 0.52
HTT P42858 1/20 0.52
IKBKB O14920 1/20 0.49
LIMK1 P53667 1/20 0.49
PTPN1 P18031 8/20 0.48
PTPN2 P17706 3/20 0.48
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 2/20 0.46
USP28 Q96RU2 6/20 0.46
USP25 Q9UHP3 6/20 0.46
NPSR1 Q6W5P4 1/20 0.45
PTPRC P08575 2/20 0.45

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
SCHEMBL13926046 0.85 PTPN1 (0.45) KDM4EPKMHTTPTPN1PTPN2
SCHEMBL13950062 0.83 PTPN1 (0.45) KDM4EPKMHTTPTPN1PTPN2
SCHEMBL4118398 0.82 PTPN1 (0.53) KDM4EPKMLIMK1PTPN1PTPN2
SCHEMBL4125907 0.81 PTPN1 (0.43) KDM4EPKMHTTPTPN1PTPN2
SCHEMBL13926043 0.79 KDM4E (0.71) KDM4EIKBKBLIMK1PTPN1PTPN2
SCHEMBL4120914 0.79 KDM4E (0.43) KDM4EPKMHTTPTPN1PTPN2
SCHEMBL4126271 0.79 KDM4E (0.60) KDM4EPTPN1PTPN2ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL4126830 0.77 PTPN1 (0.38) KDM4EPKMHTTPTPN1PTPN2
Hydrochloric Acid SCHEMBL4131714 0.77 PTPN1 (0.41) KDM4EPKMHTTPTPN1PTPN2
SCHEMBL13926049 0.77 IKBKB (0.50) KDM4EPKMHTTIKBKBPTPN1

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 KDM4E 899/4885PKM 2457/4885HTT 2323/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM KDM4E 899/4885PKM 2457/4885HTT 2323/4885

“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.