SCHEMBL4129727

SCHEMBL4129727

COC(=O)c1sc2cc(C(C)=O)cc(OC)c2c1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.37
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CISD2 Q8N5K1 1/20 0.34
ALDH1A1 P00352 2/20 0.34
STING1 Q86WV6 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRM6 O15303 1/20 0.33
KMT2A Q03164 4/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CXCR2 P25025 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32

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
SCHEMBL4127026 0.78 LMNA (0.44) LMNAMAPK1MAPTKDM4ECISD2
SCHEMBL6397110 0.77 CISD2 (0.42) LMNAMAPK1MAPTKDM4ECISD2
SCHEMBL3205578 0.66 LCK (0.42) LMNAMAPK1MAPTKDM4EALDH1A1
SCHEMBL20554293 0.65 ALDH1A1 (0.46) MAPTALDH1A1STING1KMT2A
SCHEMBL7399022 0.64 MAPT (0.50) LMNAMAPTKDM4EALDH1A1POLB
SCHEMBL11107469 0.63 HPGD (0.40) LMNAMAPK1MAPTKDM4ECISD2
SCHEMBL20094461 0.63 ALDH1A1 (0.45) LMNAMAPK1MAPTKDM4EALDH1A1
SCHEMBL7263716 0.63 PKM (0.58) LMNAKDM4EALDH1A1POLBHPGD
SCHEMBL27760680 0.62 MAPT (0.40) LMNAMAPK1MAPTKDM4ECISD2
SCHEMBL12251385 0.62 LMNA (0.62) LMNAMAPTALDH1A1POLBKMT2A

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM LMNA 4856/4885MAPK1 302/4885MAPT 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.