SCHEMBL4131737

SCHEMBL4131737

COC(=O)c1sc2cc(-c3ccc(OC)cc3)ccc2c1OCC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.41
TDP1 Q9NUW8 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
OPRD1 P41143 1/20 0.40
MAPK1 P28482 2/20 0.39
LIMK1 P53667 1/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
ATM Q13315 1/20 0.38
ABL1 P00519 1/20 0.37
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37

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
SCHEMBL4131424 0.92 MAPT (0.37) L3MBTL1MAPTKDM4EALDH1A1LMNA
SCHEMBL4119302 0.92 LIPG (0.42) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4123046 0.89 EGLN1 (0.40) MAPTKDM4EALDH1A1MAPK1LIMK1
SCHEMBL4118848 0.87 NR4A2 (0.40) L3MBTL1MAPTKDM4EALDH1A1LMNA
SCHEMBL4126920 0.87 PTPN1 (0.37) L3MBTL1TDP1MAPTKDM4EALDH1A1
SCHEMBL4124207 0.86 MAPT (0.39) L3MBTL1MAPTKDM4EALDH1A1LMNA
SCHEMBL4124240 0.85 GABRA1 (0.42) L3MBTL1TDP1MAPTKDM4EALDH1A1
SCHEMBL4131053 0.84 SMN1; SMN2 (0.43) L3MBTL1MAPTKDM4EALDH1A1LMNA
SCHEMBL4130360 0.83 MCL1 (0.43) L3MBTL1TDP1MAPTKDM4EALDH1A1
SCHEMBL4118492 0.83 MAPK1 (0.37) L3MBTL1MAPTKDM4EALDH1A1LMNA

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 L3MBTL1 2530/4885TDP1 1032/4885MAPT 3303/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM L3MBTL1 2530/4885TDP1 1032/4885MAPT 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.