SCHEMBL3906377

SCHEMBL3906377

CCOC(=O)COc1cc(-c2ccccc2C)sc1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 1/20 0.41
ABCB1 P08183 1/20 0.41
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
CASP9 P55211 1/20 0.41
USP2 O75604 1/20 0.41
F9 P00740 1/20 0.40
HTT P42858 1/20 0.40
NLRP3 Q96P20 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
SCHEMBL3904788 0.79 MAPT (0.49) PTPN1MAPTGAATP53ALDH1A1
SCHEMBL23117770 0.79 KMT2A (0.47) PTPN1MAPTGAAALDH1A1MEN1
SCHEMBL3907193 0.76 POLB (0.49) MAPTGAATP53POLBALDH1A1
SCHEMBL3905062 0.76 HPGD (0.54) PTPN1MAPTGAAPOLBALDH1A1
SCHEMBL3906261 0.76 HPGD (0.47) PTPN1POLB
SCHEMBL7897849 0.73 ABCB1 (0.61) PTPN1MAPTGAAALDH1A1RAB9A
SCHEMBL9826618 0.73 MAPT (0.60) MAPTGAATP53POLBALDH1A1
SCHEMBL3908385 0.71 MAPT (0.50) MAPTGAATP53POLBALDH1A1
SCHEMBL2871937 0.71 MAPT (0.62) PTPN1MAPTALDH1A1KMT2ARAB9A
Acetic Acid SCHEMBL6266130 0.70 MAPT (0.51) MAPTGAATP53POLBALDH1A1

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 11/4885MAPT 3976/4885GAA 920/4885

“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.