SCHEMBL4120964

SCHEMBL4120964

CCOC(=O)COc1c(C(=O)OC)sc2c(Br)csc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 4/20 0.41
CYP2C19 P33261 1/20 0.41
GPR35 Q9HC97 5/20 0.40
TSHR P16473 2/20 0.39
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 4/20 0.36
GAA P10253 3/20 0.36
PRNP P04156 1/20 0.36
ALOX12 P18054 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
F9 P00740 1/20 0.36

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
SCHEMBL3907696 0.79 ALDH1A1 (0.43) KMT2AMEN1CYP1A2ALDH1A1CYP2C19
SCHEMBL3911917 0.79 PTPN1 (0.49) KMT2AMEN1CYP1A2ALDH1A1CYP2C19
SCHEMBL4132920 0.79 KMT2A (0.47) KMT2AMEN1CYP1A2ALDH1A1CYP2C19
SCHEMBL4131939 0.77 HSD17B10 (0.41) KMT2AMEN1CYP1A2ALDH1A1HPGD
SCHEMBL13867883 0.75 PTPN1 (0.51)
SCHEMBL4125985 0.75 PTPN1 (0.41) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL3915222 0.75 PTPN1 (0.50) KDM4EMAPT
SCHEMBL3916592 0.75 PTPN1 (0.47)
SCHEMBL3909646 0.75 PTPN1 (0.58) KMT2AMEN1ALDH1A1HSD17B10MAPT
SCHEMBL4136002 0.74 ALDH1A1 (0.43) KMT2AMEN1CYP1A2ALDH1A1CYP2C19

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-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B WYETH (US) 2009-02-19 US disclosed
US-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B WYETH 2005-09-15 US disclosed
WO-2005081960-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 (2 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-20050203081-A1 Inhibitors of protein tyrosine phosphatase 1B PTPRS, PTPRO, PTPRM KMT2A 2936/4885MEN1 4592/4885CYP1A2 3198/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM KMT2A 2936/4885MEN1 4592/4885CYP1A2 3198/4885

“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.