SCHEMBL3908336

SCHEMBL3908336

CCOC(=O)COc1c(C(=O)OC)sc(-c2ccc(O)cc2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.43
GRM6 O15303 4/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 3/20 0.39
GAA P10253 3/20 0.39
ALDH2 P05091 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ESR1 P03372 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ESR2 Q92731 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL3915170 0.89 GRM6 (0.48) PTPN1GRM6ALDH1A1KDM4EHPGD
SCHEMBL3905792 0.82 PTPN1 (0.54) PTPN1GRM6ALDH1A1KDM4EHPGD
SCHEMBL3911409 0.82 PTPN1 (0.48) PTPN1GRM6ALDH1A1KDM4EHPGD
SCHEMBL13867883 0.80 PTPN1 (0.51) PTPN1
SCHEMBL3915222 0.79 PTPN1 (0.50) PTPN1GRM6KDM4EMAPT
SCHEMBL3909646 0.79 PTPN1 (0.58) PTPN1GRM6ALDH1A1MAPTGAA
SCHEMBL3905661 0.78 PTPN1 (0.49) PTPN1ALDH1A1CYP1A2
SCHEMBL3907448 0.78 PTPN1 (0.54) PTPN1
SCHEMBL13867890 0.78 PTPN1 (0.49) PTPN1
SCHEMBL3908619 0.77 PTPN1 (0.46) PTPN1FNTAFNTBCA12CA1

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 11/4885GRM6 3279/4885ALDH1A1 2158/4885

“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.