SCHEMBL4127318

SCHEMBL4127318

COC(=O)c1sc2c(C)cccc2c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
GAA P10253 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
NR4A2 P43354 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL28175469 0.86 LMNA (0.62) LMNAMAPK1GAAKDM4EALDH1A1
SCHEMBL25706983 0.86 LMNA (0.50) LMNAMAPK1GAAKDM4EALDH1A1
SCHEMBL3190591 0.83 PFKFB3 (0.46) LMNAMAPK1GAAKDM4EALDH1A1
SCHEMBL28175470 0.83 LMNA (0.51) LMNAMAPK1GAAKDM4EALDH1A1
SCHEMBL3201511 0.79 LMNA (0.47) LMNAMAPK1GAAKDM4EALDH1A1
SCHEMBL4120881 0.76 GAA (0.47) LMNAMAPK1GAAKDM4EALDH1A1
SCHEMBL4651653 0.76 MAPK1 (0.71) LMNAMAPK1GAAKDM4EALDH1A1
SCHEMBL31347574 0.76 MAPK1 (0.71) LMNAMAPK1GAAKDM4EALDH1A1
SCHEMBL27715629 0.74 NR4A2 (0.42) LMNAMAPK1GAAKDM4EALDH1A1
SCHEMBL3181802 0.74 MAPK1 (0.59) LMNAMAPK1GAAKDM4EALDH1A1

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 LMNA 4856/4885MAPK1 302/4885GAA 850/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM LMNA 4856/4885MAPK1 302/4885GAA 850/4885

“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.