SCHEMBL4131978

SCHEMBL4131978

COC(=O)COc1c(C(=O)OC)sc2cc(C=O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.43
MAPT P10636 7/20 0.43
KDM4E B2RXH2 6/20 0.43
KMT2A Q03164 5/20 0.43
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
CYP1A2 P05177 3/20 0.43
MAPK1 P28482 2/20 0.43
GLA P06280 2/20 0.43
ALOX15 P16050 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PTGS2 P35354 2/20 0.37
LMNA P02545 3/20 0.37
GAA P10253 2/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HSP90AA1 P07900 1/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL4126193 0.87 KDM4E (0.41) ALDH1A1MAPTKDM4EKMT2AHPGD
SCHEMBL4138949 0.83 KDM4E (0.50) ALDH1A1MAPTKDM4EKMT2AHPGD
SCHEMBL4125937 0.82 KMT2A (0.44) ALDH1A1MAPTKDM4EKMT2AHPGD
SCHEMBL4126959 0.81 KDM4E (0.46) ALDH1A1MAPTKDM4EKMT2AHPGD
SCHEMBL4126172 0.81 KDM4E (0.46) ALDH1A1MAPTKDM4EKMT2AHPGD
SCHEMBL4138854 0.79 KMT2A (0.44) ALDH1A1MAPTKDM4EKMT2AHPGD
SCHEMBL4126482 0.78 KDM4E (0.41) ALDH1A1MAPTKDM4EKMT2AHPGD
SCHEMBL4136002 0.77 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EKMT2AHPGD
SCHEMBL4127460 0.77 SENP5 (0.50) ALDH1A1KMT2AHPGDSMN1; SMN2MEN1
SCHEMBL4127887 0.76 CA12 (0.40) ALDH1A1MAPTKDM4EKMT2AHPGD

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 ALDH1A1 2329/4885MAPT 3303/4885KDM4E 899/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM ALDH1A1 2329/4885MAPT 3303/4885KDM4E 899/4885

“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.