SCHEMBL3904459

SCHEMBL3904459

CC(C)NC(=O)N(Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2sc(C(=O)O)c(OCC(=O)O)c2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.46
NR1H4 Q96RI1 5/20 0.45
LTB4R2 Q9NPC1 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
PTGES O14684 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
SCHEMBL3910223 0.93 PTPN1 (0.46) PTPN1NR1H4
SCHEMBL3910452 0.92 PTPN1 (0.47) PTPN1NR1H4LTB4R2PTGDR2PTGES
SCHEMBL3914978 0.91 PTPN1 (0.50) PTPN1NR1H4PTGES
SCHEMBL3909080 0.91 PTPN1 (0.57) PTPN1
SCHEMBL3906771 0.85 PTPN1 (0.47) PTPN1NR1H4
SCHEMBL3910838 0.85 PTPN1 (0.50) PTPN1
SCHEMBL3912211 0.85 PTPN1 (0.51) PTPN1
SCHEMBL3910658 0.84 PTPN1 (0.58) PTPN1
SCHEMBL3909998 0.83 PTPN1 (0.51) PTPN1NR1H4PTGES
SCHEMBL3904044 0.82 PTPN1 (0.63) 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 11/4885NR1H4 3607/4885LTB4R2 4142/4885

“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.