SCHEMBL4126880

SCHEMBL4126880

COC(=O)COc1c(C(=O)OC)sc2cc(C(=O)Nc3nccs3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.52
NPC1 O15118 6/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 2/20 0.48
CYP2C19 P33261 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
OPRK1 P41145 1/20 0.48
BRD4 O60885 1/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 1/20 0.47
ESR2 Q92731 1/20 0.47

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
SCHEMBL4120616 0.83 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL4125937 0.81 KMT2A (0.44) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL4126165 0.81 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL4126172 0.80 KDM4E (0.46) SMN1; SMN2MAPK1ALDH1A1MEN1KMT2A
SCHEMBL4126959 0.80 KDM4E (0.46) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL4136093 0.80 KMT2A (0.38) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL4138854 0.78 KMT2A (0.44) SMN1; SMN2MAPK1ALDH1A1MEN1KMT2A
SCHEMBL4126482 0.77 KDM4E (0.41) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL4126550 0.76 HDAC1 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2ACYP2C19
SCHEMBL4127460 0.76 SENP5 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1

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 RAB9A 1873/4885NPC1 4126/4885SMN1; SMN2 4056/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM RAB9A 1873/4885NPC1 4126/4885SMN1; SMN2 4056/4885

“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.