SCHEMBL4136809

SCHEMBL4136809

COC(=O)COc1c(C(=O)OC)sc2c(Cl)cccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.53
CYP1A2 P05177 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
POLB P06746 2/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 4/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MCL1 Q07820 2/20 0.42
PFKFB3 Q16875 1/20 0.41
PFKFB4 Q16877 1/20 0.41
NR4A2 P43354 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL4120881 0.86 GAA (0.47) KMT2ACYP1A2NPSR1POLBCYP2C9
SCHEMBL3189288 0.83 KMT2A (0.44) KMT2ACYP1A2NPSR1POLBCYP2C9
SCHEMBL3190591 0.77 PFKFB3 (0.46) KMT2ACYP1A2NPSR1POLBCYP2C9
SCHEMBL15619156 0.77 PFKFB4 (0.55) KMT2ACYP1A2NPSR1POLBCYP2C9
SCHEMBL4119852 0.76 PTPN1 (0.61) KMT2AMCL1
SCHEMBL5109846 0.76 KMT2A (0.65) KMT2ACYP1A2POLBKDM4EMAPT
SCHEMBL31370875 0.76 PFKFB3 (0.46) KMT2ACYP1A2NPSR1POLBCYP2C9
SCHEMBL8139114 0.76 KDM4E (0.60) KMT2ACYP1A2NPSR1POLBCYP2C9
SCHEMBL3203106 0.75 PFKFB4 (0.43) KMT2ACYP1A2NPSR1POLBCYP2C9
SCHEMBL3198134 0.74 KDM4E (0.43) KMT2ANPSR1TDP1KDM4EMAPT

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 3198/4885NPSR1 3948/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM KMT2A 2936/4885CYP1A2 3198/4885NPSR1 3948/4885

“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.