SCHEMBL4138854

SCHEMBL4138854

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.44
CYP1A2 P05177 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 6/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 2/20 0.42
GLA P06280 2/20 0.42
ALOX15 P16050 2/20 0.42
LMNA P02545 3/20 0.36
GAA P10253 3/20 0.36
HDAC1 Q13547 1/20 0.35
NCEH1 Q6PIU2 1/20 0.35
ATM Q13315 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34

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
SCHEMBL4125937 0.87 KMT2A (0.44) KMT2ACYP1A2MEN1ALDH1A1KDM4E
SCHEMBL4126172 0.86 KDM4E (0.46) KMT2ACYP1A2MEN1ALDH1A1KDM4E
SCHEMBL4126959 0.86 KDM4E (0.46) KMT2ACYP1A2MEN1ALDH1A1KDM4E
SCHEMBL4120495 0.86 DYRK1A (0.50) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL4126482 0.83 KDM4E (0.41) KMT2ACYP1A2MEN1ALDH1A1KDM4E
SCHEMBL4138949 0.81 KDM4E (0.50) KMT2ACYP1A2MEN1ALDH1A1KDM4E
SCHEMBL4118684 0.80 PTPN1 (0.46)
SCHEMBL4119893 0.80 GAA (0.40) KMT2ACYP1A2MEN1ALDH1A1MAPT
SCHEMBL4126550 0.80 HDAC1 (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4131978 0.79 ALDH1A1 (0.43) KMT2ACYP1A2MEN1ALDH1A1KDM4E

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 KMT2A 2936/4885CYP1A2 3198/4885MEN1 4592/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM KMT2A 2936/4885CYP1A2 3198/4885MEN1 4592/4885

“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.