SCHEMBL4130608

SCHEMBL4130608

CCOC(=O)c1sc2nc(OCc3ccccc3)ccc2c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
RAB9A P51151 5/20 0.50
NPC1 O15118 5/20 0.50
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CDC7 O00311 2/20 0.48
DBF4 Q9UBU7 2/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
CSNK1D P48730 1/20 0.45
ALDH1A1 P00352 7/20 0.44
TSHR P16473 1/20 0.43
MAPT P10636 5/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4127703 0.80 KDM4E (0.44) KDM4ERAB9ANPC1HPGDSMN1; SMN2
SCHEMBL16475087 0.76 KDM4E (0.57) KDM4ERAB9ANPC1HPGDSMN1; SMN2
SCHEMBL4329932 0.73 KDM5A (0.47) KDM4ERAB9ANPC1HPGDSMN1; SMN2
SCHEMBL4126271 0.73 KDM4E (0.60) KDM4EALDH1A1KMT2AGAANPSR1
SCHEMBL22677875 0.72 LMNA (0.46) KDM4ERAB9ANPC1HPGDSMN1; SMN2
SCHEMBL4126156 0.72 POLB (0.53) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL15049029 0.71 CDC7 (0.67) CDC7DBF4TRPM8ALDH1A1MAPT
SCHEMBL9540895 0.71 MAPT (0.40) KDM4ERAB9ANPC1HPGDSMN1; SMN2
SCHEMBL2952210 0.70 HPGD (0.48) KDM4ERAB9ANPC1HPGDSMN1; SMN2
SCHEMBL4633875 0.69 ALDH1A1 (0.67) KDM4EALDH1A1MAPTKMT2AGAA

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 KDM4E 899/4885RAB9A 1873/4885NPC1 4126/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM KDM4E 899/4885RAB9A 1873/4885NPC1 4126/4885

“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.