SCHEMBL3905901

SCHEMBL3905901

CCOC(=O)COc1c(C(=O)OC)sc(-c2cccc(OCc3cccc(C(=O)OC)c3)c2)c1Br

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.56
MRGPRX4 Q96LA9 5/20 0.48
VDR P11473 1/20 0.41
F9 P00740 1/20 0.40
F10 P00742 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3909104 0.92 PTPN1 (0.66) PTPN1F9F10
SCHEMBL3907712 0.89 PTPN1 (0.54) PTPN1MRGPRX4F9F10
SCHEMBL3910009 0.89 PTPN1 (0.55) PTPN1F9F10
SCHEMBL3907399 0.87 PTPN1 (0.64) PTPN1F9F10ALDH1A1SMN1; SMN2
SCHEMBL6268163 0.86 PTPN1 (0.55) PTPN1F9F10
SCHEMBL3909166 0.86 PTPN1 (0.51) PTPN1F9F10
SCHEMBL6278145 0.84 PTPN1 (0.79) PTPN1
SCHEMBL3917412 0.84 PTPN1 (0.61) PTPN1
SCHEMBL6260856 0.83 PTPN1 (0.52) PTPN1F9F10
SCHEMBL3909587 0.82 PTPN1 (0.54) 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 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 11/4885MRGPRX4 3999/4885VDR 4179/4885

“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.