SCHEMBL4120480

SCHEMBL4120480

COC(=O)c1sc2ncc(C=Cc3ccccc3)cc2c1OCC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
HPGD P15428 4/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
POLB P06746 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
GAA P10253 2/20 0.39
CYP2C9 P11712 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 4/20 0.34
TP53 P04637 1/20 0.34
GLA P06280 1/20 0.33

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
SCHEMBL4120477 1.00 KDM4E (0.41) KDM4EHPGDMAPTLMNAL3MBTL1
SCHEMBL4126797 0.86 AXL (0.43) KDM4EHPGDMAPTLMNAL3MBTL1
SCHEMBL4126101 0.85 KDM4E (0.43) KDM4EHPGDMAPTLMNAL3MBTL1
SCHEMBL4118479 0.82 KDM4E (0.39) KDM4EHPGDMAPTLMNAL3MBTL1
SCHEMBL4119895 0.82 KDM4E (0.39) KDM4EHPGDMAPTLMNAL3MBTL1
SCHEMBL4126937 0.82 KDM4E (0.39) KDM4EHPGDMAPTLMNAL3MBTL1
SCHEMBL4133173 0.79 KDM4E (0.60) KDM4EHPGDMAPTLMNAL3MBTL1
SCHEMBL4138860 0.79 CCNE2 (0.40) KDM4EHPGDMAPTLMNAL3MBTL1
SCHEMBL4125318 0.78 MAPT (0.51) KDM4EHPGDMAPTLMNAL3MBTL1
SCHEMBL4122122 0.77 PTPN1 (0.48) KDM4EKMT2AALDH1A1

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 KDM4E 899/4885HPGD 3685/4885MAPT 3303/4885
US-20090048286-A1 Inhibitors of Protein Tyrosine Phosphatase 1B PTPRS, PTPRO, PTPRM KDM4E 899/4885HPGD 3685/4885MAPT 3303/4885

“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.