SCHEMBL6500472

SCHEMBL6500472

CCN(C(=O)CC1SC(NC2C(C)(C)C2(C)C)=NC1=O)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.36
GAA P10253 1/20 0.35
HSD11B1 P28845 1/20 0.33
NPC1 O15118 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.32
RAB9A P51151 2/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31

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
SCHEMBL6426954 0.88 L3MBTL1 (0.39) L3MBTL1ALDH1A1MEN1KMT2AATM
SCHEMBL6427664 0.88 L3MBTL1 (0.39) L3MBTL1ALDH1A1MEN1KMT2AATM
SCHEMBL6394557 0.82 L3MBTL1 (0.38) L3MBTL1ALDH1A1MEN1KMT2AATM
SCHEMBL6387572 0.79 ATM (0.35) L3MBTL1ALDH1A1MEN1KMT2AATM
SCHEMBL6426012 0.75 TSHR (0.50) L3MBTL1ALDH1A1MEN1KMT2AGAA
SCHEMBL6430640 0.69 ALDH1A1 (0.40) L3MBTL1ALDH1A1GAAKDM4ELMNA
SCHEMBL6393753 0.69 SLC6A2 (0.35) L3MBTL1ALDH1A1KDM4ELMNASLC6A2
SCHEMBL6427997 0.69 PKM (0.40) L3MBTL1ALDH1A1MEN1KMT2AATM
SCHEMBL6394447 0.68 KDM4E (0.31) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6502963 0.67 DPP9 (0.37) ALDH1A1

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 L3MBTL1 4470/4885ALDH1A1 67/4885MEN1 979/4885

“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.