SCHEMBL3908609

SCHEMBL3908609

CCOC(=O)COc1c(C(=O)OC)sc(-c2cccc(CNc3cccc(C(F)(F)F)c3)c2)c1Br

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.52
IDH1 O75874 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 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
SCHEMBL3916110 0.97 PTPN1 (0.54) PTPN1MAPTALDH1A1HPGD
SCHEMBL3909883 0.91 PTPN1 (0.55) PTPN1
SCHEMBL3906646 0.89 PTPN1 (0.60) PTPN1
SCHEMBL3916453 0.89 PTPN1 (0.49) PTPN1
SCHEMBL3913033 0.89 PTPN1 (0.43) PTPN1IDH1MAPTMEN1KMT2A
SCHEMBL3911789 0.88 PTPN1 (0.53) PTPN1
SCHEMBL3907005 0.88 PTPN1 (0.56) PTPN1
SCHEMBL3909649 0.88 PTPN1 (0.47) PTPN1MAPTTP53
SCHEMBL3913887 0.88 PTPN1 (0.68) PTPN1
SCHEMBL3905176 0.87 PTPN1 (0.51) 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 11/4885IDH1 611/4885MAPT 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.