SCHEMBL4132444

SCHEMBL4132444

CCOC(=O)COc1c(C(=O)OC)sc2nc(-c3ccccc3)ccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
NPC1 O15118 6/20 0.60
RAB9A P51151 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
HPGD P15428 3/20 0.60
ALDH1A1 P00352 5/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
MAPT P10636 9/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
POLB P06746 2/20 0.48
TLR9 Q9NR96 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ATM Q13315 1/20 0.47
RXFP1 Q9HBX9 3/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL17431317 0.84 KDM4E (0.48) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL17431450 0.83 KDM4E (0.47) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL17431348 0.81 KDM4E (0.69) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4124223 0.79 KDM4E (0.44) KDM4ESMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL3198134 0.78 KDM4E (0.43) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4120950 0.77 KDM4E (0.45) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3915170 0.77 GRM6 (0.48) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4118398 0.77 PTPN1 (0.53) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL12692462 0.76 MAPT (0.76) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4120166 0.73 KDM4E (0.43) KDM4ENPC1RAB9ASMN1; 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 4 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-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 899/4885NPC1 4126/4885RAB9A 1873/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM KDM4E 899/4885NPC1 4126/4885RAB9A 1873/4885

“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.