SCHEMBL4119302

SCHEMBL4119302

COC(=O)c1sc2cc(-c3ccccc3)ccc2c1OCC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.42
ACLY P53396 3/20 0.42
MCL1 Q07820 1/20 0.41
LMNA P02545 3/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA6 Q16445 1/20 0.38
CXCR2 P25025 1/20 0.38
HPGD P15428 4/20 0.38
POLB P06746 1/20 0.38

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) LIPGACLYLMNAMAPK1ALDH1A1
SCHEMBL4131737 0.92 L3MBTL1 (0.41) LMNAMAPK1ALDH1A1MAPTKDM4E
SCHEMBL4126920 0.91 PTPN1 (0.37) LIPGACLYMCL1LMNAMAPK1
SCHEMBL4124207 0.90 MAPT (0.39) LIPGACLYMCL1LMNAMAPK1
SCHEMBL4123046 0.89 EGLN1 (0.40) ACLYMAPK1ALDH1A1MAPTKDM4E
SCHEMBL4130360 0.87 MCL1 (0.43) MCL1LMNAMAPK1ALDH1A1MAPT
SCHEMBL4118492 0.87 MAPK1 (0.37) ACLYMCL1LMNAMAPK1ALDH1A1
SCHEMBL4124240 0.87 GABRA1 (0.42) ACLYLMNAMAPK1ALDH1A1MAPT
SCHEMBL4118848 0.87 NR4A2 (0.40) LMNAMAPK1ALDH1A1MAPTKDM4E
SCHEMBL4118818 0.86 PTPN1 (0.39) LMNAMAPK1ALDH1A1MAPTKDM4E

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 LIPG 488/4885ACLY 2321/4885MCL1 1825/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM LIPG 488/4885ACLY 2321/4885MCL1 1825/4885

“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.