SCHEMBL4126550

SCHEMBL4126550

COC(=O)COc1c(C(=O)OC)sc2cc(C(=O)NCc3ccccc3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.47
SENP5 Q96HI0 9/20 0.47
SENP2 Q9HC62 9/20 0.47
SENP1 Q9P0U3 9/20 0.47
CYP2D6 P10635 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C9 P11712 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2C19 P33261 1/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SCD O00767 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL4135560 0.90 KDM5B (0.51) MEN1KMT2ASMN1; SMN2TP53ALDH1A1
SCHEMBL4130777 0.85 MMP12 (0.47) SENP5SENP2SENP1ALDH1A1USP2
SCHEMBL4125937 0.85 KMT2A (0.44) HDAC1SENP5SENP2SENP1L3MBTL1
SCHEMBL3191169 0.84 PTPN2 (0.43) HDAC1SENP5SENP2SENP1CYP2D6
SCHEMBL4120495 0.83 DYRK1A (0.50) HDAC1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL4119836 0.83 PTPN1 (0.51) HDAC1SENP5SENP2SENP1CYP2D6
SCHEMBL4126172 0.82 KDM4E (0.46) HDAC1SENP5SENP2SENP1MEN1
SCHEMBL4126959 0.82 KDM4E (0.46) HDAC1L3MBTL1CYP2C9MEN1KMT2A
SCHEMBL4138854 0.80 KMT2A (0.44) HDAC1L3MBTL1CYP2C9MEN1KMT2A
SCHEMBL4127460 0.79 SENP5 (0.50) SENP5SENP2SENP1CYP2C9MEN1

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 HDAC1 1382/4885SENP5 2824/4885SENP2 2422/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM HDAC1 1382/4885SENP5 2824/4885SENP2 2422/4885

“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.