SCHEMBL4125985

SCHEMBL4125985

CCOC(=O)COc1c(C(=O)OC)sc2c(-c3cccc(NC(C)=O)c3)csc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.41
PRKCZ Q05513 1/20 0.39
NQO2 P16083 1/20 0.39
MAPT P10636 5/20 0.39
LMNA P02545 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TTK P33981 2/20 0.38
MAPK8 P45983 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTK2 Q05397 1/20 0.38
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 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
SCHEMBL4131939 0.86 HSD17B10 (0.41) PTPN1PRKCZMAPTLMNAALDH1A1
SCHEMBL4127833 0.86 MGLL (0.49) PTPN1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL4141672 0.85 PTPN1 (0.49) PTPN1MAPTLMNAALDH1A1PTK2
SCHEMBL4120683 0.82 PTPN1 (0.55) PTPN1NQO2
SCHEMBL4127835 0.77 ALDH1A1 (0.36) PTPN1MAPTLMNAALDH1A1MEN1
SCHEMBL3909012 0.76 PTPN1 (0.56) PTPN1
SCHEMBL4131867 0.75 ALDH1A1 (0.34) PTPN1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL4139259 0.75 POLB (0.36) PTPN1MAPTLMNAALDH1A1KDM4E
SCHEMBL4120964 0.75 KMT2A (0.42) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL3909474 0.73 PTPN1 (0.69) PTPN1

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-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 PTPN1 11/4885PRKCZ 654/4885NQO2 1726/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM PTPN1 11/4885PRKCZ 654/4885NQO2 1726/4885

“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.