SCHEMBL4123467

SCHEMBL4123467

CCOC(=O)COc1c(C(=O)OC)sc2cc(-c3sccc3C=O)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
F9 P00740 2/20 0.36
ESR1 P03372 5/20 0.35
GAA P10253 3/20 0.35
KDM4E B2RXH2 5/20 0.35
F10 P00742 1/20 0.35
MAPT P10636 5/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
NFKB1 P19838 1/20 0.34
STAT1 P42224 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 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
SCHEMBL4132578 0.86 KMT2A (0.39) ALDH1A1CYP1A2CYP2C19KMT2AMEN1
SCHEMBL4121061 0.80 F9 (0.43) ALDH1A1CYP1A2KMT2AMEN1F9
SCHEMBL4118709 0.79 PTPN1 (0.43)
SCHEMBL4120893 0.78 L3MBTL1 (0.41) ALDH1A1KMT2AMEN1F9GAA
SCHEMBL4136002 0.77 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19KMT2AMEN1
SCHEMBL4120603 0.77 RAB9A (0.42) ALDH1A1KMT2AMEN1F9GAA
SCHEMBL4132117 0.77 GAA (0.48) ALDH1A1KMT2AMEN1F9GAA
SCHEMBL4131978 0.75 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19KMT2AMEN1
SCHEMBL3190697 0.74 F9 (0.39) ALDH1A1CYP1A2CYP2C19KMT2AMEN1
SCHEMBL4132920 0.74 KMT2A (0.47) ALDH1A1CYP1A2CYP2C19KMT2AMEN1

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 ALDH1A1 2329/4885CYP1A2 3198/4885CYP2C19 2677/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM ALDH1A1 2329/4885CYP1A2 3198/4885CYP2C19 2677/4885

“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.