SCHEMBL6428780

SCHEMBL6428780

CC1CCN(C(=O)CC2SC(NC3C(C)(C)C3(C)C)=NC2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
NPC1 O15118 3/20 0.38
TSHR P16473 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 2/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PLD3 Q8IV08 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 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
SCHEMBL6426012 0.88 TSHR (0.50) ALDH1A1NPC1TSHRMEN1KMT2A
SCHEMBL6430640 0.86 ALDH1A1 (0.40) ALDH1A1TSHRRAB9AGAAHPGD
SCHEMBL6427850 0.84 TSHR (0.40) ALDH1A1NPC1TSHRMEN1KMT2A
SCHEMBL6502963 0.80 DPP9 (0.37) ALDH1A1TSHR
SCHEMBL6428790 0.77 HPGD (0.39) ALDH1A1NPC1TSHRMEN1KMT2A
SCHEMBL6500416 0.77 EPHX2 (0.37) ALDH1A1NPC1TSHRMEN1KMT2A
SCHEMBL6502742 0.73 TSHR (0.49) ALDH1A1NPC1TSHRRAB9AHPGD
SCHEMBL6429260 0.73 TSHR (0.49) ALDH1A1NPC1TSHRRAB9AHPGD
SCHEMBL6425891 0.73 TSHR (0.49) ALDH1A1NPC1TSHRRAB9AHPGD
SCHEMBL6501368 0.73 TSHR (0.49) ALDH1A1NPC1TSHRRAB9AHPGD

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-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
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 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 (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 ALDH1A1 67/4885NPC1 277/4885TSHR 2078/4885

“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.