SCHEMBL4126797

SCHEMBL4126797

COC(=O)c1sc2ncc(-c3ccccc3)cc2c1OCC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.43
KDM4E B2RXH2 5/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.40
SGK1 O00141 2/20 0.39
CAMKK2 Q96RR4 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 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
SCHEMBL4120480 0.86 KDM4E (0.41) KDM4EMAPTHPGDLMNAL3MBTL1
SCHEMBL4120477 0.86 KDM4E (0.41) KDM4EMAPTHPGDLMNAL3MBTL1
SCHEMBL4126101 0.86 KDM4E (0.43) KDM4EMAPTHPGDLMNAL3MBTL1
SCHEMBL4119895 0.83 KDM4E (0.39) KDM4EMAPTHPGDLMNAL3MBTL1
SCHEMBL4118479 0.83 KDM4E (0.39) KDM4EMAPTHPGDLMNAL3MBTL1
SCHEMBL4126937 0.83 KDM4E (0.39) KDM4EMAPTHPGDLMNAL3MBTL1
SCHEMBL4119302 0.82 LIPG (0.42) KDM4EMAPTHPGDLMNAKMT2A
SCHEMBL4133173 0.81 KDM4E (0.60) KDM4EMAPTHPGDLMNAL3MBTL1
SCHEMBL4138860 0.81 CCNE2 (0.40) KDM4EMAPTHPGDLMNAL3MBTL1
SCHEMBL4125318 0.80 MAPT (0.51) KDM4EMAPTHPGDLMNAL3MBTL1

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-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
WO-2005037839-A1 NORCANTHARIDIN DERIVATIVE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF ENTOMED (FR) 2005-04-28 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 AXL 1317/4885KDM4E 899/4885MAPT 3303/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM AXL 1317/4885KDM4E 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.