SCHEMBL4124645

SCHEMBL4124645

COC(=O)c1sc2ncc(I)cc2c1O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 2/20 0.38
IKBKB O14920 1/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL13926047 0.84 IKBKB (0.55) TP53KDM4EALDH1A1MAPTHPGD
SCHEMBL4127506 0.82 TP53 (0.40) TP53KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL4131369 0.78 MAPT (0.60) TP53MAPT
SCHEMBL4118479 0.76 KDM4E (0.39) TP53KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL4134050 0.75 TP53 (0.64) TP53KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL9542516 0.71 KDM4E (0.40) KDM4EALDH1A1MAPTSMN1; SMN2RXFP1
SCHEMBL31758642 0.70 HPGD (0.46) TP53KDM4EALDH1A1MAPTHPGD
SCHEMBL7848765 0.70 MAPT (0.55) KDM4EALDH1A1MAPTSMN1; SMN2RXFP1
SCHEMBL7846025 0.70 IKBKB (0.72) KDM4EALDH1A1MAPTSMN1; SMN2RXFP1
SCHEMBL4126822 0.69 IKBKB (0.52) KDM4EALDH1A1MAPTSMN1; SMN2HPGD

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 TP53 1154/4885KDM4E 899/4885ALDH1A1 2329/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM TP53 1154/4885KDM4E 899/4885ALDH1A1 2329/4885

“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.