SCHEMBL3907660

SCHEMBL3907660

COC(=O)c1sc(-c2cccc(N(CC3CCCCC3)C(=O)OC)c2)c(C)c1OCC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.37
NR1H4 Q96RI1 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CACNA1B Q00975 1/20 0.30

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
SCHEMBL3904787 0.93 PTPN1 (0.35) PTPN1NR1H4CHRM2CHRM1CHRM3
SCHEMBL3909874 0.92 PTPN1 (0.46) PTPN1
SCHEMBL3906841 0.91 PTPN1 (0.38) PTPN1NR1H4ALDH1A1CASP3SENP7
SCHEMBL3908053 0.91 NR1H4 (0.37) PTPN1NR1H4CACNA1B
SCHEMBL3909895 0.90 PTPN1 (0.39) PTPN1
SCHEMBL3910533 0.89 PTPN1 (0.37) PTPN1NR1H4ALDH1A1
SCHEMBL3914769 0.87 PTPN1 (0.36) PTPN1
SCHEMBL3906790 0.86 PTPN1 (0.47) PTPN1
SCHEMBL3909356 0.86 PTPN1 (0.36) PTPN1NR1H4ALDH1A1CACNA1B
SCHEMBL3904571 0.85 PTPN1 (0.44) PTPN1

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 2 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

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 11/4885NR1H4 3607/4885CHRM2 4843/4885

“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.