SCHEMBL6503540

SCHEMBL6503540

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 7/20 0.37
L3MBTL1 Q9Y468 5/20 0.37
NPC1 O15118 4/20 0.37
CASP3 P42574 2/20 0.37
SENP8 Q96LD8 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP6 Q9GZR1 2/20 0.37
USP2 O75604 2/20 0.37
POLB P06746 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
MAPT P10636 1/20 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
SCHEMBL6506208 0.89 POLB (0.34) MEN1KMT2AL3MBTL1CASP3SENP8
SCHEMBL6498497 0.87 TP53 (0.41) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6499622 0.80 HPGD (0.35) MEN1KMT2ARAB9AL3MBTL1NPC1
SCHEMBL6392200 0.78 HPGD (0.43) MEN1KMT2ARAB9ANPC1CASP3
SCHEMBL6429217 0.73 EPHX2 (0.35) TDP1
SCHEMBL1605406 0.71 EPHX2 (0.32) TDP1
SCHEMBL6504717 0.70 MMP2 (0.32) L3MBTL1POLBTDP1
SCHEMBL6428746 0.69 EPHX2 (0.33) TDP1
SCHEMBL6426507 0.67 GABRP (0.31)
SCHEMBL11241762 0.67 KMT2A (0.68) MEN1KMT2ARAB9AL3MBTL1NPC1

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 MEN1 979/4885KMT2A 3213/4885RAB9A 2649/4885

“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.