SCHEMBL4126822

SCHEMBL4126822

COC(=O)c1sc2nc(C)ccc2c1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.52
LIMK1 P53667 1/20 0.52
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ESR2 Q92731 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL8558549 0.84 IKBKB (0.71) IKBKBLIMK1ALDH1A1KDM4EMAPT
SCHEMBL9542517 0.82 MAPT (0.51) IKBKBLIMK1ALDH1A1KDM4EMAPT
SCHEMBL5857727 0.81 KDM4E (0.41) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL9542510 0.79 ALDH1A1 (0.47) IKBKBLIMK1ALDH1A1KDM4EMAPT
SCHEMBL4134050 0.76 TP53 (0.64) IKBKBLIMK1ALDH1A1KDM4EMAPT
SCHEMBL9542516 0.75 KDM4E (0.40) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL25487585 0.75 TRPM8 (0.39) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL13118464 0.75 IKBKB (0.43) IKBKBLIMK1ALDH1A1KDM4EMAPT
SCHEMBL11099767 0.74 MAPT (0.41) IKBKBLIMK1ALDH1A1KDM4EMAPT
SCHEMBL4120166 0.73 KDM4E (0.43) IKBKBLIMK1ALDH1A1KDM4EMAPT

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 IKBKB 312/4885LIMK1 1750/4885ALDH1A1 2329/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM IKBKB 312/4885LIMK1 1750/4885ALDH1A1 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.