SCHEMBL3908251

SCHEMBL3908251

COC(=O)c1sc(Br)c(Br)c1OCC(=O)NC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
MAPT P10636 7/20 0.40
ALDH1A1 P00352 7/20 0.40
HTT P42858 4/20 0.40
KMT2A Q03164 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 5/20 0.38
POLB P06746 3/20 0.38
NPC1 O15118 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL3906716 0.81 PTPN1 (0.71) PTPN1MAPTKMT2ATSHRHSD17B10
SCHEMBL13867918 0.81 PTPN1 (0.54) PTPN1MAPTALDH1A1KMT2AL3MBTL1
SCHEMBL3906530 0.81 PTPN1 (0.48) PTPN1MAPTKMT2AL3MBTL1CYP1A2
SCHEMBL3912295 0.79 PTPN1 (0.41) PTPN1MAPTALDH1A1KMT2ANPSR1
SCHEMBL3906569 0.79 ALDH1A1 (0.49) PTPN1MAPTALDH1A1HTTKMT2A
SCHEMBL3908457 0.79 PTPN1 (0.46) PTPN1MAPTALDH1A1KMT2AL3MBTL1
SCHEMBL3907240 0.78 PTPN1 (0.45) PTPN1MAPTALDH1A1KMT2AL3MBTL1
SCHEMBL3911917 0.77 PTPN1 (0.49) PTPN1MAPTALDH1A1HTTKMT2A
SCHEMBL2682770 0.74 MAPT (0.48) PTPN1MAPTALDH1A1KMT2ANPSR1
SCHEMBL6262512 0.74 PTPN1 (0.40) PTPN1MAPTKMT2AGAATSHR

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 11/4885MAPT 3976/4885ALDH1A1 2158/4885

“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.