SCHEMBL4126057

SCHEMBL4126057

CCOC(=O)c1cccnc1SCC(=O)OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.69
ALDH1A1 P00352 3/20 0.67
TP53 P04637 1/20 0.64
MAPT P10636 2/20 0.60
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
L3MBTL1 Q9Y468 3/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 2/20 0.53
RXFP1 Q9HBX9 2/20 0.53
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
RAB9A P51151 2/20 0.53
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
GAA P10253 1/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 2/20 0.49

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
SCHEMBL14315170 0.92 ALDH1A1 (0.70) HSD17B10ALDH1A1TP53MAPTKMT2A
SCHEMBL9661173 0.89 PKM (0.68) HSD17B10ALDH1A1TP53KMT2AMEN1
SCHEMBL13980284 0.83 ALDH1A1 (0.66) HSD17B10ALDH1A1TP53MAPTKMT2A
SCHEMBL7752130 0.80 ALDH1A1 (0.58) HSD17B10ALDH1A1TP53MAPTKMT2A
SCHEMBL13242893 0.80 L3MBTL1 (0.76) HSD17B10ALDH1A1TP53MAPTKMT2A
SCHEMBL15669069 0.78 ALDH1A1 (0.56) HSD17B10ALDH1A1TP53MAPTKMT2A
SCHEMBL4630903 0.77 L3MBTL1 (0.61) HSD17B10ALDH1A1TP53MAPTKMT2A
SCHEMBL9661093 0.77 L3MBTL1 (0.71) HSD17B10ALDH1A1MAPTKMT2AL3MBTL1
SCHEMBL3238599 0.77 ALDH1A1 (0.58) HSD17B10ALDH1A1KMT2AL3MBTL1PKM
SCHEMBL5651774 0.76 LMNA (0.58) HSD17B10ALDH1A1TP53MAPTKMT2A

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 HSD17B10 1283/4885ALDH1A1 2329/4885TP53 1154/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM HSD17B10 1283/4885ALDH1A1 2329/4885TP53 1154/4885

“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.