SCHEMBL4127833

SCHEMBL4127833

CCOC(=O)COc1c(C(=O)OC)sc2c(-c3cccc(NC(=O)OCC4CCCCC4)c3)csc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.49
PTPN1 P18031 7/20 0.41
CHRM3 P20309 4/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGIR P43119 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
BRAF P15056 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL4141672 0.88 PTPN1 (0.49) PTPN1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4121429 0.86 PTPN1 (0.55) MGLLPTPN1PTGIR
SCHEMBL4125985 0.86 PTPN1 (0.41) PTPN1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3191962 0.81 ALDH1A1 (0.40) MGLLPTPN1ALDH1A1LMNAMAPT
SCHEMBL4127835 0.81 ALDH1A1 (0.36) PTPN1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4131939 0.80 HSD17B10 (0.41) PTPN1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3181104 0.79 NLRP3 (0.38) MGLLCHRM3ALDH1A1PTGIRHDAC3
SCHEMBL4131867 0.79 ALDH1A1 (0.34) PTPN1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4139259 0.78 POLB (0.36) PTPN1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3906667 0.77 PTPN1 (0.57) MGLLPTPN1

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 MGLL 2574/4885PTPN1 11/4885CHRM3 4871/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM MGLL 2574/4885PTPN1 11/4885CHRM3 4871/4885

“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.