SCHEMBL4136093

SCHEMBL4136093

COC(=O)COc1c(C(=O)OC)sc2cc(C(=O)Nc3cc(C)ns3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 4/20 0.38
RAB9A P51151 7/20 0.37
NPC1 O15118 6/20 0.37
RXFP1 Q9HBX9 2/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 2/20 0.37
GLA P06280 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CXCR1 P25024 2/20 0.35

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
SCHEMBL4121439 0.84 PTPN1 (0.43) KDM4ERAB9ANPC1MAOAMAOB
SCHEMBL4126165 0.82 ALDH1A1 (0.46) KMT2AKDM4ERAB9ANPC1RXFP1
SCHEMBL4125937 0.80 KMT2A (0.44) KMT2AKDM4ERAB9ANPC1RXFP1
SCHEMBL4126880 0.80 RAB9A (0.52) KMT2AKDM4ERAB9ANPC1MEN1
SCHEMBL4126959 0.79 KDM4E (0.46) KMT2AKDM4ERAB9ANPC1RXFP1
SCHEMBL4126172 0.79 KDM4E (0.46) KMT2AKDM4ERXFP1MEN1ALDH1A1
SCHEMBL4138854 0.77 KMT2A (0.44) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL4126482 0.77 KDM4E (0.41) KMT2AKDM4ERAB9ANPC1MEN1
SCHEMBL4125941 0.76 NPC1 (0.41) KMT2AKDM4ERAB9ANPC1MEN1
SCHEMBL4126550 0.75 HDAC1 (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2CYP2C9

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 KMT2A 2936/4885KDM4E 899/4885RAB9A 1873/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM KMT2A 2936/4885KDM4E 899/4885RAB9A 1873/4885

“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.