SCHEMBL3915435

SCHEMBL3915435

COc1ccc(CN(Cc2cccc(-c3sc(C(=O)OC(=O)c4sc(-c5cccc(CN(Cc6ccccc6)C(C)=O)c5)c(Cl)c4OCC(=O)O)c(OCC(=O)O)c3Cl)c2)C(C)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.44
LPAR1 Q92633 2/20 0.40
LPAR2 Q9HBW0 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B2 P37059 1/20 0.39
TSHR P16473 1/20 0.39
SLC2A1 P11166 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARD Q03181 2/20 0.38
FFAR1 O14842 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PTGES O14684 1/20 0.38
DYRK1A Q13627 1/20 0.37

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
SCHEMBL3915430 0.93 PTPN1 (0.52) PTPN1LPAR1LPAR2TDP1HSD17B2
SCHEMBL3913512 0.92 PTPN1 (0.52) PTPN1LPAR1LPAR2TDP1PPARD
SCHEMBL3920953 0.91 PTPN1 (0.44) PTPN1LPAR1LPAR2TDP1HSD17B2
SCHEMBL3911985 0.88 PTPN1 (0.51) PTPN1
SCHEMBL3905626 0.87 PTPN1 (0.49) PTPN1
SCHEMBL3905224 0.85 PTPN1 (0.47) PTPN1
SCHEMBL3908965 0.84 PTPN1 (0.58) PTPN1
SCHEMBL3920948 0.83 PTPN1 (0.52) PTPN1LPAR1LPAR2HSD17B2TSHR
SCHEMBL3909026 0.82 PTPN1 (0.53) PTPN1LPAR1LPAR2HSD17B2TSHR
SCHEMBL3907456 0.82 PTPN1 (0.68) 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 11/4885LPAR1 3864/4885LPAR2 4094/4885

“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.