SCHEMBL4127947

SCHEMBL4127947

O=C(O)COc1c(C(=O)O)sc2nc(CNS(=O)(=O)c3ccccc3)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
PTPN1 P18031 9/20 0.42
PTPN2 P17706 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TBXA2R P21731 1/20 0.41
TBXAS1 P24557 1/20 0.41
CASP3 P42574 1/20 0.41
PTPRC P08575 1/20 0.40
POLB P06746 1/20 0.38
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
STAT3 P40763 1/20 0.36
MCL1 Q07820 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36

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
Hydrochloric Acid SCHEMBL4132095 0.82 PTPN1 (0.46) PTPN1PTPN2KDM4EALDH1A1PTPRC
Hydrochloric Acid SCHEMBL4120492 0.81 KDM4E (0.47) PTPN1PTPN2KDM4EALDH1A1PTPRC
SCHEMBL4138668 0.81 POLB (0.41) TDP1KDM4EALDH1A1CASP3POLB
Hydrochloric Acid SCHEMBL4138663 0.80 POLB (0.40) TDP1KDM4EALDH1A1CASP3POLB
SCHEMBL13950062 0.78 PTPN1 (0.45) PTPN1PTPN2KDM4EALDH1A1PTPRC
SCHEMBL13926046 0.78 PTPN1 (0.45) PTPN1PTPN2KDM4EALDH1A1PTPRC
Hydrochloric Acid SCHEMBL4131714 0.76 PTPN1 (0.41) PTPN1PTPN2KDM4EALDH1A1PTPRC
Hydrochloric Acid SCHEMBL4126830 0.76 PTPN1 (0.38) PTPN1PTPN2KDM4EALDH1A1PTPRC
SCHEMBL4118398 0.74 PTPN1 (0.53) PTPN1PTPN2KDM4EALDH1A1PTPRC
SCHEMBL4131579 0.74 KDM4E (0.52) PTPN1PTPN2KDM4EALDH1A1PTPRC

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 TDP1 1032/4885PTPN1 11/4885PTPN2 23/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM TDP1 1032/4885PTPN1 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.