SCHEMBL4125992

SCHEMBL4125992

O=C(O)COc1c(C(=O)O)sc2cccnc12

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.56
PTPN2 P17706 4/20 0.56
PTPRC P08575 3/20 0.49
HIF1A Q16665 1/20 0.49
LIMK1 P53667 1/20 0.48
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CD69 Q07108 1/20 0.43
KMT2A Q03164 1/20 0.41

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
SCHEMBL4859707 0.82 LIMK1 (0.50) PTPN1PTPN2LIMK1KDM4EALDH1A1
SCHEMBL11844857 0.78 PTPN1 (0.76) PTPN1PTPN2PTPRCKDM4EALDH1A1
SCHEMBL13926043 0.77 KDM4E (0.71) PTPN1PTPN2PTPRCHIF1ALIMK1
SCHEMBL3191306 0.77 PTPN1 (0.52) PTPN1PTPN2PTPRCHIF1AKDM4E
SCHEMBL27404716 0.75 LIMK1 (0.55) LIMK1KDM4EALDH1A1KMT2A
SCHEMBL10507045 0.75 LIMK1 (0.55) LIMK1KDM4EALDH1A1KMT2A
SCHEMBL1098450 0.74 LIMK1 (0.54) PTPN1LIMK1KDM4EALDH1A1KMT2A
SCHEMBL8507168 0.74 LIMK1 (0.77) LIMK1KDM4EALDH1A1KMT2A
SCHEMBL4127206 0.74 ALDH1A1 (0.46) LIMK1KDM4EALDH1A1KMT2A
SCHEMBL4129933 0.72 CYP2C9 (0.58) PTPN1PTPN2PTPRCKDM4EALDH1A1

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 5 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-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 23/4885PTPRC 13/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM PTPN1 11/4885PTPN2 23/4885PTPRC 13/4885

“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.