SCHEMBL6506208

SCHEMBL6506208

COc1ccc(Br)c(C(=O)OCCC2SC(NC3CC4C=CC3C4)=NC2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PTPN2 P17706 3/20 0.32
KMT2A Q03164 3/20 0.32
PTPN1 P18031 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTPN6 P29350 1/20 0.31
PTPN11 Q06124 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL6503540 0.89 MEN1 (0.39) POLBL3MBTL1PTPN2KMT2APTPN1
SCHEMBL6392200 0.87 HPGD (0.43) POLBHPGDALDH1A1KMT2AKDM4E
SCHEMBL6501686 0.85 NPSR1 (0.39) POLBALDH1A1PTPN2KMT2APTPN1
SCHEMBL6499622 0.80 HPGD (0.35) L3MBTL1HPGDALDH1A1KMT2AMEN1
SCHEMBL6506231 0.80 KMT2A (0.37) POLBALDH1A1KMT2AKDM4EGAA
SCHEMBL6508566 0.79 ALDH1A1 (0.38) POLBHPGDALDH1A1KMT2AMAPT
SCHEMBL6498497 0.78 TP53 (0.41) HPGDALDH1A1KMT2AMEN1GAA
SCHEMBL6505095 0.77 KDM4E (0.32) L3MBTL1ALDH1A1KDM4EMAPT
SCHEMBL6499218 0.75 LMNA (0.35) L3MBTL1HPGDALDH1A1KMT2AKDM4E
SCHEMBL6501582 0.75 ALDH1A1 (0.35) POLBL3MBTL1HPGDALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US 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 (1 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 POLB 1038/4885L3MBTL1 4470/4885HPGD 66/4885

“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.