SCHEMBL4124240

SCHEMBL4124240

COC(=O)c1sc2cc(-c3cccs3)ccc2c1OCC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRA6 Q16445 1/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
NR4A2 P43354 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 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
SCHEMBL4119302 0.87 LIPG (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4131424 0.85 MAPT (0.37) KDM4EMAPTL3MBTL1ALDH1A1HSD17B10
SCHEMBL4131737 0.85 L3MBTL1 (0.41) KDM4EMAPTNPC1L3MBTL1ALDH1A1
SCHEMBL4126920 0.84 PTPN1 (0.37) KDM4EMAPTL3MBTL1ALDH1A1HSD17B10
SCHEMBL4118848 0.84 NR4A2 (0.40) KDM4EMAPTNR4A2L3MBTL1ALDH1A1
SCHEMBL4124207 0.83 MAPT (0.39) KDM4EMAPTNPC1L3MBTL1ALDH1A1
SCHEMBL4130360 0.83 MCL1 (0.43) KDM4EMAPTNPC1L3MBTL1ALDH1A1
SCHEMBL4118492 0.83 MAPK1 (0.37) KDM4EMAPTNPC1L3MBTL1ALDH1A1
SCHEMBL4123046 0.82 EGLN1 (0.40) KDM4EMAPTALDH1A1HSD17B10KMT2A
SCHEMBL4131053 0.81 SMN1; SMN2 (0.43) KDM4EMAPTNPC1L3MBTL1ALDH1A1

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 GABRA1 3477/4885GABRG2 2956/4885GABRB3 2411/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM GABRA1 3477/4885GABRG2 2956/4885GABRB3 2411/4885

“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.