SCHEMBL4132920

SCHEMBL4132920

CCOC(=O)COc1c(C(=O)OC)sc2ccsc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
CYP1A2 P05177 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 3/20 0.41
GPR35 Q9HC97 2/20 0.40
ALDH1A1 P00352 5/20 0.40
GAA P10253 3/20 0.40
NPSR1 Q6W5P4 3/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
MAPK1 P28482 1/20 0.38
F9 P00740 1/20 0.38
PKM P14618 2/20 0.38
HSD17B10 Q99714 2/20 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
SCHEMBL12831679 0.81 GPR35 (0.48) KMT2ACYP1A2MEN1KDM4EGPR35
SCHEMBL4120964 0.79 KMT2A (0.42) KMT2ACYP1A2MEN1KDM4EGPR35
SCHEMBL22325674 0.79 GPR35 (0.46) KMT2ACYP1A2MEN1KDM4EGPR35
SCHEMBL4136002 0.75 ALDH1A1 (0.43) KMT2ACYP1A2MEN1KDM4EALDH1A1
SCHEMBL4132578 0.74 KMT2A (0.39) KMT2ACYP1A2MEN1KDM4EALDH1A1
SCHEMBL4118472 0.74 KDM4E (0.42) KMT2ACYP1A2KDM4EALDH1A1GAA
SCHEMBL17431348 0.74 KDM4E (0.69) KMT2ACYP1A2KDM4EALDH1A1GAA
SCHEMBL4123467 0.74 ALDH1A1 (0.40) KMT2ACYP1A2MEN1KDM4EALDH1A1
SCHEMBL3181089 0.74 PTPN2 (0.45) KMT2AKDM4EALDH1A1LMNAMAPT
SCHEMBL3198134 0.73 KDM4E (0.43) KMT2AMEN1KDM4EALDH1A1GAA

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 2936/4885CYP1A2 3198/4885MEN1 4592/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM KMT2A 2936/4885CYP1A2 3198/4885MEN1 4592/4885

“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.