SCHEMBL4131053

SCHEMBL4131053

COC(=O)c1sc2cc(Cl)ccc2c1OCC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 8/20 0.41
KDM4E B2RXH2 5/20 0.41
LMNA P02545 4/20 0.41
HPGD P15428 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MCL1 Q07820 3/20 0.40
BCKDK O14874 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ATM Q13315 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 3/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL3187510 0.89 PTPN2 (0.40) SMN1; SMN2KMT2AMAPTKDM4ELMNA
SCHEMBL4121757 0.88 MAPK1 (0.43) SMN1; SMN2KMT2AMAPTKDM4ELMNA
SCHEMBL4121844 0.86 MAPT (0.38) SMN1; SMN2KMT2AMAPTKDM4ELMNA
SCHEMBL4119302 0.84 LIPG (0.42) SMN1; SMN2KMT2AMAPTKDM4ELMNA
SCHEMBL4131737 0.84 L3MBTL1 (0.41) SMN1; SMN2MAPTKDM4ELMNAHPGD
SCHEMBL4131424 0.84 MAPT (0.37) SMN1; SMN2KMT2AMAPTKDM4ELMNA
SCHEMBL4132097 0.83 KDM4E (0.36) SMN1; SMN2KMT2AMAPTKDM4ELMNA
SCHEMBL6505261 0.83 MAPT (0.39) SMN1; SMN2KMT2AMAPTKDM4ELMNA
SCHEMBL4132094 0.83 KDM4E (0.36) SMN1; SMN2KMT2AMAPTKDM4ELMNA
SCHEMBL4126482 0.82 KDM4E (0.41) SMN1; SMN2KMT2AMAPTKDM4ELMNA

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 4 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-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 SMN1; SMN2 4056/4885KMT2A 2936/4885MAPT 3303/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM SMN1; SMN2 4056/4885KMT2A 2936/4885MAPT 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.