SCHEMBL3916044

SCHEMBL3916044

COC(=O)COc1c(C(=O)N2CC(C)OC(C)C2)sc(Br)c1Br

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
KMT2A Q03164 6/20 0.36
LMNA P02545 3/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 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
SCHEMBL3906321 0.88 PTPN1 (0.56) PTPN1SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL3915624 0.88 PTPN1 (0.56) PTPN1SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL3915794 0.81 POLB (0.44) PTPN1SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL3906012 0.81 PTPN1 (0.45) PTPN1ALDH1A1HPGDKMT2ALMNA
SCHEMBL3906559 0.80 PTPN1 (0.44) PTPN1ALDH1A1HPGDKMT2ANPC1
SCHEMBL6278067 0.80 HPGD (0.40) SMN1; SMN2ALDH1A1HPGDKMT2ALMNA
SCHEMBL3908645 0.75 PTPN1 (0.71) PTPN1
SCHEMBL3907330 0.73 PTPN1 (0.53) PTPN1KMT2ALMNAKDM4ECYP1A2
SCHEMBL3913925 0.73 PTPN1 (0.53) PTPN1ALDH1A1HPGDKMT2ALMNA
SCHEMBL3910089 0.72 PTPN1 (0.51) PTPN1KMT2ALMNAKDM4ECYP1A2

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 11/4885SMN1; SMN2 4531/4885ALDH1A1 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.