SCHEMBL4139136

SCHEMBL4139136

COC(=O)c1ccc(OCc2ccccc2)cc1SC(=O)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.50
EGFR P00533 1/20 0.50
LTB4R Q15722 3/20 0.47
LTB4R2 Q9NPC1 3/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX5 P09917 1/20 0.47
CACNA1B Q00975 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSP90AA1 P07900 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43
NMT1 P30419 1/20 0.42

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
SCHEMBL2470933 0.91 EGFR (0.48) MAOBEGFRLTB4RLTB4R2CYP2D6
SCHEMBL9814816 0.85 TDP1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL2473768 0.82 LTB4R (0.50) MAOBEGFRLTB4RLTB4R2CYP2D6
SCHEMBL2469092 0.79 EPOR (0.43) MAOBEGFRLTB4RLTB4R2CYP2D6
SCHEMBL3962253 0.79 MAOB (0.61) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL629952 0.79 MAOB (0.74) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3201763 0.78 MAOB (0.57) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL22873361 0.77 MAOB (0.59) MAOBLTB4RLTB4R2NPC1RAB9A
SCHEMBL22692220 0.77 MAOB (0.59) MAOBLTB4RLTB4R2NPC1RAB9A
SCHEMBL7881166 0.77 MAOB (0.59) MAOBNPC1RAB9ASMN1; SMN2LMNA

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 4 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-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 MAOB 1009/4885EGFR 1153/4885LTB4R 4383/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM MAOB 1009/4885EGFR 1153/4885LTB4R 4383/4885

“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.