SCHEMBL3908555

SCHEMBL3908555

CCOC(=O)COc1c(C(=O)OC)sc(-c2ccc(OC)c(C=O)c2)c1Br

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTPN1 P18031 11/20 0.43
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ERN1 O75460 1/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PRNP P04156 1/20 0.39
ALOX12 P18054 1/20 0.39
PTPRC P08575 1/20 0.38
PTPN2 P17706 1/20 0.38

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
SCHEMBL3910572 0.89 PTPN1 (0.43) ALDH1A1CYP1A2CYP2C19PTPN1MAPT
SCHEMBL3910577 0.89 PTPN1 (0.43) ALDH1A1CYP1A2CYP2C19PTPN1MAPT
SCHEMBL3915578 0.86 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C19PTPN1KDM4E
SCHEMBL3915582 0.86 ALDH1A1 (0.40) ALDH1A1CYP1A2CYP2C19PTPN1KDM4E
SCHEMBL3905661 0.85 PTPN1 (0.49) ALDH1A1CYP1A2CYP2C19PTPN1PTPRC
SCHEMBL3909005 0.84 PTPN1 (0.50) ALDH1A1CYP1A2CYP2C19PTPN1PTPRC
SCHEMBL3905698 0.84 KDM4E (0.42) ALDH1A1CYP1A2CYP2C19PTPN1MAPT
SCHEMBL3905695 0.84 KDM4E (0.42) ALDH1A1CYP1A2CYP2C19PTPN1MAPT
SCHEMBL13867927 0.83 PTPN1 (0.47) PTPN1PTPRCPTPN2
SCHEMBL3908619 0.82 PTPN1 (0.46) PTPN1PTPRCPTPN2

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 5 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-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed
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 ALDH1A1 2158/4885CYP1A2 2516/4885CYP2C19 1996/4885

“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.