SCHEMBL3916294

SCHEMBL3916294

COC(=O)c1sc(Br)c(Br)c1OCC(=O)N1CCCC1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.43
ALDH1A1 P00352 2/20 0.42
PTPN1 P18031 1/20 0.38
P2RY12 Q9H244 1/20 0.35
HTR1A P08908 2/20 0.35
HTR7 P34969 2/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
ACE P12821 1/20 0.34

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
SCHEMBL3909688 0.79 PTPN1 (0.46) ALDH1A1PTPN1
SCHEMBL6278144 0.79 PTPN1 (0.46) ALDH1A1PTPN1
SCHEMBL13867918 0.71 PTPN1 (0.54) ALDH1A1PTPN1
SCHEMBL3906716 0.71 PTPN1 (0.71) PTPN1
SCHEMBL3908251 0.69 PTPN1 (0.48) ALDH1A1PTPN1
SCHEMBL3911917 0.67 PTPN1 (0.49) ALDH1A1PTPN1
SCHEMBL3908464 0.67 PTPN1 (0.46) ALDH1A1PTPN1
SCHEMBL3906530 0.66 PTPN1 (0.48) PTPN1
SCHEMBL11481661 0.66 CPT1A (0.60) DPP4
SCHEMBL7167933 0.66 CPT1A (0.60) DPP4

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 DPP4 137/4885ALDH1A1 2158/4885PTPN1 11/4885

“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.