SCHEMBL6500416

SCHEMBL6500416

CC1CCN(C(=O)CC2SC(NC34CC5CC(CC3C5)C4)=NC2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.37
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 3/20 0.34
TSHR P16473 1/20 0.34
EPHX1 P07099 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP4 P27487 1/20 0.33
PLD3 Q8IV08 1/20 0.32
RAB9A P51151 2/20 0.32
PIN1 Q13526 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL6507760 0.88 TSHR (0.46) EPHX2ALDH1A1TSHRMEN1KMT2A
SCHEMBL6498258 0.88 TSHR (0.46) EPHX2ALDH1A1TSHRMEN1KMT2A
SCHEMBL6506039 0.81 MAPT (0.36) EPHX2ALDH1A1TSHRDPP4
SCHEMBL6500205 0.80 DPP9 (0.46) ALDH1A1DPP4
SCHEMBL6510576 0.79 DPP4 (0.52) ALDH1A1MEN1KMT2ADPP4GAA
SCHEMBL6428780 0.77 ALDH1A1 (0.38) ALDH1A1NPC1TSHRMEN1KMT2A
SCHEMBL6500702 0.76 TSHR (0.30) TSHR
SCHEMBL6427850 0.75 TSHR (0.40) EPHX2ALDH1A1NPC1TSHRMEN1
SCHEMBL6387572 0.74 ATM (0.35) ALDH1A1NPC1MEN1KMT2ARAB9A
SCHEMBL6428790 0.73 HPGD (0.39) ALDH1A1NPC1TSHRMEN1KMT2A

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 EPHX2 641/4885ALDH1A1 67/4885NPC1 277/4885

“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.