SCHEMBL3919218

SCHEMBL3919218

O=C(O)COc1c(C(=O)O)sc(-c2cccc(OCc3cccc(OC(F)(F)F)c3)c2)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.62
PPARD Q03181 5/20 0.48
MRGPRX4 Q96LA9 2/20 0.44
FFAR1 O14842 3/20 0.44
PTPRC P08575 1/20 0.43
PTPN2 P17706 1/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP14 P50281 1/20 0.41
ADAM17 P78536 1/20 0.41

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
SCHEMBL3907768 0.89 PTPN1 (0.62) PTPN1PPARDMRGPRX4FFAR1PTPRC
SCHEMBL3909316 0.89 PTPN1 (0.79) PTPN1PTPRCPTPN2
SCHEMBL3907472 0.89 PTPN1 (0.77) PTPN1PPARDMRGPRX4FFAR1PTPRC
SCHEMBL3909638 0.87 PTPN1 (0.66) PTPN1MRGPRX4
SCHEMBL3905232 0.87 PTPN1 (0.61) PTPN1
SCHEMBL3906135 0.86 PTPN1 (0.60) PTPN1PPARDMRGPRX4PTPRCPTPN2
SCHEMBL3907610 0.84 PTPN1 (0.65) PTPN1PTPRCPTPN2
SCHEMBL3909147 0.84 PTPN1 (0.65) PTPN1PPARDMRGPRX4FFAR1PTPRC
SCHEMBL6265485 0.82 PTPN1 (0.64) PTPN1FFAR1PTPRCPTPN2
SCHEMBL3905151 0.80 PTPN1 (0.58) PTPN1PPARDFFAR1PTPRCPTPN2

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 11/4885PPARD 1414/4885MRGPRX4 3999/4885

“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.