SCHEMBL4121055

SCHEMBL4121055

COC(=O)c1sc2nc(CNCc3ccccc3)ccc2c1OCC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HDAC1 Q13547 1/20 0.37
PDE1B Q01064 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 0.35
CHRM4 P08173 1/20 0.34
TRPM8 Q7Z2W7 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 SCHEMBL4121051 0.99 KDM4E (0.39) KDM4EMAPTHPGDL3MBTL1LMNA
SCHEMBL4126264 0.88 KDM4E (0.39) KDM4EMAPTHPGDL3MBTL1LMNA
Hydrochloric Acid SCHEMBL4126261 0.87 KDM4E (0.39) KDM4EMAPTHPGDL3MBTL1LMNA
SCHEMBL4131302 0.87 KDM4E (0.38) KDM4EMAPTHPGDL3MBTL1LMNA
SCHEMBL4127123 0.86 KDM4E (0.38) KDM4EMAPTHPGDL3MBTL1LMNA
Hydrochloric Acid SCHEMBL4131296 0.86 KDM4E (0.38) KDM4EMAPTHPGDL3MBTL1LMNA
Hydrochloric Acid SCHEMBL4127118 0.85 KDM4E (0.37) KDM4EMAPTHPGDL3MBTL1LMNA
SCHEMBL4138668 0.85 POLB (0.41) KDM4EMAPTHPGDL3MBTL1LMNA
Hydrochloric Acid SCHEMBL4138663 0.84 POLB (0.40) KDM4EMAPTHPGDL3MBTL1LMNA
SCHEMBL4132102 0.84 KDM4E (0.39) KDM4EMAPTHPGDL3MBTL1LMNA

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 KDM4E 899/4885MAPT 3303/4885HPGD 3685/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM KDM4E 899/4885MAPT 3303/4885HPGD 3685/4885

“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.