SCHEMBL3906012

SCHEMBL3906012

COC(=O)COc1c(C(=O)N2CCCCC2)sc(Br)c1Br

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
ALDH1A1 P00352 10/20 0.38
HPGD P15428 8/20 0.38
TSHR P16473 4/20 0.38
LMNA P02545 2/20 0.38
CES2 O00748 1/20 0.36
RECQL P46063 1/20 0.36
XIAP P98170 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C9 P11712 1/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 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
SCHEMBL3906559 0.89 PTPN1 (0.44) PTPN1ALDH1A1HPGDTSHRHSD17B10
SCHEMBL3915794 0.88 POLB (0.44) PTPN1ALDH1A1HPGDTSHRLMNA
SCHEMBL3908191 0.86 PTPN1 (0.62) PTPN1ALDH1A1HPGDTSHRLMNA
SCHEMBL3916044 0.81 PTPN1 (0.41) PTPN1ALDH1A1HPGDLMNAHSD17B10
SCHEMBL6278144 0.79 PTPN1 (0.46) PTPN1ALDH1A1HPGDTSHRRECQL
SCHEMBL3909688 0.79 PTPN1 (0.46) PTPN1ALDH1A1HPGDTSHRRECQL
SCHEMBL3908645 0.78 PTPN1 (0.71) PTPN1
SCHEMBL3907330 0.77 PTPN1 (0.53) PTPN1TSHRLMNAMEN1KMT2A
SCHEMBL3913925 0.77 PTPN1 (0.53) PTPN1ALDH1A1HPGDTSHRLMNA
SCHEMBL3910089 0.76 PTPN1 (0.51) PTPN1TSHRLMNAMEN1KMT2A

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 11/4885ALDH1A1 2158/4885HPGD 3417/4885

“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.