SCHEMBL3916772

SCHEMBL3916772

CCOC(=O)COc1c(C(=O)OC)sc(-c2cccc(OCC3CCN(C(=O)Nc4ccccc4OC)CC3)c2)c1Br

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.61
PTPN2 P17706 6/20 0.61
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
P2RY12 Q9H244 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL3910720 0.95 PTPN1 (0.62) PTPN1PTPN2
SCHEMBL3916378 0.93 PTPN1 (0.63) PTPN1PTPN2GAA
SCHEMBL3908794 0.92 PTPN1 (0.61) PTPN1PTPN2MAPTP2RY12TP53
SCHEMBL3908763 0.91 PTPN1 (0.60) PTPN1PTPN2P2RY12
SCHEMBL3908631 0.90 PTPN1 (0.75) PTPN1PTPN2
SCHEMBL3909657 0.90 PTPN1 (0.58) PTPN1PTPN2
SCHEMBL3909741 0.89 PTPN1 (0.62) PTPN1PTPN2
SCHEMBL3916783 0.89 PTPN1 (0.59) PTPN1PTPN2MAPTHSD17B10
SCHEMBL3910258 0.89 PTPN1 (0.68) PTPN1PTPN2
SCHEMBL3909887 0.88 PTPN1 (0.61) PTPN1PTPN2

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 11/4885PTPN2 17/4885MAPT 3976/4885

“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.