SCHEMBL3911079

SCHEMBL3911079

O=C(O)COc1c(C(=O)N2CCOCC2)sc(-c2ccccc2)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.47
PTPRC P08575 1/20 0.47
PTPN2 P17706 1/20 0.47
TP53 P04637 3/20 0.47
MDM2 Q00987 2/20 0.47
CNR1 P21554 1/20 0.47
HPGD P15428 5/20 0.46
ALDH1A1 P00352 4/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
CASP1 P29466 1/20 0.46
PTGS2 P35354 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.41
DUSP3 P51452 1/20 0.41
PPARD Q03181 1/20 0.40

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
SCHEMBL3919375 0.88 PTPN1 (0.54) PTPN1TP53HPGDALDH1A1HSD17B10
SCHEMBL3908526 0.87 PTPN1 (0.65) PTPN1PTPRCPTPN2HPGD
SCHEMBL3916398 0.87 HPGD (0.56) PTPN1PTPRCPTPN2TP53MDM2
SCHEMBL3903780 0.84 HPGD (0.48) PTPN1TP53HPGDALDH1A1HSD17B10
SCHEMBL6264957 0.80 CNR1 (0.53) TP53MDM2CNR1HPGDALDH1A1
SCHEMBL6264952 0.80 CNR1 (0.53) TP53MDM2CNR1HPGDALDH1A1
SCHEMBL3909753 0.80 PTPN1 (0.63) PTPN1PTPRCPTPN2
SCHEMBL3903644 0.80 PTPN1 (0.71) PTPN1PTPRCPTPN2
SCHEMBL3908035 0.77 PTPN1 (0.52) PTPN1PTPRCPTPN2TP53CNR1
SCHEMBL3914078 0.77 PTPN1 (0.55) PTPN1TP53CNR1HPGDALDH1A1

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 11/4885PTPRC 5/4885PTPN2 17/4885

“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.