SCHEMBL3905459

SCHEMBL3905459

COc1cccc(-c2sc(C(=O)N3CCOCC3)c(OCC(=O)O)c2Br)c1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.70
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
PTPRC P08575 1/20 0.51
PTPN2 P17706 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL3906506 0.92 PTPN1 (0.58) PTPN1NPC1RAB9AL3MBTL1KDM4E
SCHEMBL3914078 0.90 PTPN1 (0.55) PTPN1NPC1RAB9AL3MBTL1KDM4E
SCHEMBL3919375 0.89 PTPN1 (0.54) PTPN1NPC1RAB9AL3MBTL1KDM4E
SCHEMBL3908526 0.88 PTPN1 (0.65) PTPN1PTPRCPTPN2HPGD
SCHEMBL6262178 0.83 RAB9A (0.58) PTPN1NPC1RAB9AL3MBTL1KDM4E
SCHEMBL6262169 0.83 RAB9A (0.58) PTPN1NPC1RAB9AL3MBTL1KDM4E
SCHEMBL3905410 0.83 PTPN1 (1.00) PTPN1PTPRCPTPN2
SCHEMBL3908035 0.83 PTPN1 (0.52) PTPN1NPC1RAB9APTPRCPTPN2
SCHEMBL3909593 0.82 PTPN1 (0.56) PTPN1PTPRCPTPN2
SCHEMBL6265789 0.82 PTPN1 (0.62) PTPN1PTPRCPTPN2

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 11/4885NPC1 4116/4885RAB9A 2365/4885

“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.