SCHEMBL3909989

SCHEMBL3909989

CCOC(=O)COc1c(C(=O)OC)sc(-c2cccc(NS(=O)(=O)CC(F)(F)F)c2)c1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.40
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
IDH1 O75874 1/20 0.36
LRRK2 Q5S007 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
GRM2 Q14416 1/20 0.35
CYP17A1 P05093 1/20 0.34
MAPT P10636 2/20 0.34
SYK P43405 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3909680 0.83 PTPN1 (0.56) PTPN1
SCHEMBL3907980 0.82 PTPN1 (0.54) PTPN1
SCHEMBL3906860 0.82 PTPN1 (0.49) PTPN1
SCHEMBL3913033 0.80 PTPN1 (0.43) PTPN1LMNATP53IDH1ALDH1A1
SCHEMBL3911409 0.80 PTPN1 (0.48) PTPN1LMNATP53ALDH1A1GAA
SCHEMBL3908346 0.80 PTPN1 (0.55) PTPN1LMNAALDH1A1MAPTKDM4E
SCHEMBL3915170 0.78 GRM6 (0.48) PTPN1TP53ALDH1A1GAAMAPT
SCHEMBL3913081 0.78 PTPN1 (0.51) PTPN1
SCHEMBL3916525 0.78 PTPN1 (0.58) PTPN1LMNATP53IDH1SYK
SCHEMBL3913229 0.77 PTPN1 (0.49) PTPN1

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-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
US-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081954-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 (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-20050203087-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRO, PTPRS, PTPRM PTPN1 11/4885LMNA 4870/4885TP53 1645/4885

“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.