SCHEMBL4138668

SCHEMBL4138668

COC(=O)c1sc2nc(CNS(=O)(=O)c3ccccc3)ccc2c1OCC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
NR1H2 P55055 1/20 0.36
KMT2A Q03164 5/20 0.36
NPSR1 Q6W5P4 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
MCL1 Q07820 1/20 0.36
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
CASP3 P42574 1/20 0.34
HTT P42858 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
Hydrochloric Acid SCHEMBL4138663 0.99 POLB (0.40) POLBKDM4EMAPTHPGDNR1H2
SCHEMBL4126264 0.86 KDM4E (0.39) POLBKDM4EMAPTHPGDNR1H2
Hydrochloric Acid SCHEMBL4126261 0.85 KDM4E (0.39) POLBKDM4EMAPTHPGDNR1H2
SCHEMBL4121055 0.85 KDM4E (0.40) POLBKDM4EMAPTHPGDKMT2A
Hydrochloric Acid SCHEMBL4121051 0.84 KDM4E (0.39) POLBKDM4EMAPTHPGDKMT2A
SCHEMBL4132102 0.81 KDM4E (0.39) POLBKDM4EMAPTHPGDKMT2A
Hydrochloric Acid SCHEMBL4138662 0.81 KDM4E (0.36) POLBKDM4EMAPTHPGDKMT2A
SCHEMBL4131302 0.81 KDM4E (0.38) POLBKDM4EMAPTHPGDKMT2A
SCHEMBL4127947 0.81 TDP1 (0.43) POLBKDM4ECYP2C9CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL4131296 0.80 KDM4E (0.38) POLBKDM4EMAPTHPGDKMT2A

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 POLB 3952/4885KDM4E 899/4885MAPT 3303/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM POLB 3952/4885KDM4E 899/4885MAPT 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.