SCHEMBL4132578

SCHEMBL4132578

CCOC(=O)COc1c(C(=O)OC)sc2cc(-c3sccc3CO)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.39
ALDH1A1 P00352 8/20 0.39
MAPT P10636 7/20 0.39
HPGD P15428 7/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
MEN1 O00255 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
PKM P14618 1/20 0.39
STAT1 P42224 1/20 0.39
KDM4E B2RXH2 7/20 0.38
LMNA P02545 4/20 0.37
CYP1A2 P05177 2/20 0.37
GAA P10253 3/20 0.37
F9 P00740 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4123467 0.86 ALDH1A1 (0.40) KMT2AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4121061 0.81 F9 (0.43) KMT2AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4132117 0.79 GAA (0.48) KMT2AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4120893 0.79 L3MBTL1 (0.41) KMT2AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4122921 0.78 PTPN1 (0.45)
SCHEMBL4136002 0.78 ALDH1A1 (0.43) KMT2AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4120603 0.77 RAB9A (0.42) KMT2AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6527954 0.77 PTPN1 (0.43)
SCHEMBL3190697 0.75 F9 (0.39) KMT2AALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL4132920 0.74 KMT2A (0.47) KMT2AALDH1A1MAPTHPGDMEN1

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 2936/4885ALDH1A1 2329/4885MAPT 3303/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM KMT2A 2936/4885ALDH1A1 2329/4885MAPT 3303/4885

“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.