SCHEMBL6389744

SCHEMBL6389744

C[C@H](NC1=NC(=O)C(CC(=O)N2CCCCCC2)S1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.36
PRLHR P49683 2/20 0.35
RPS6KB1 P23443 1/20 0.35
ALDH1A1 P00352 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE9A O76083 1/20 0.33
DAPK3 O43293 1/20 0.33
ROCK2 O75116 1/20 0.33
CHEK2 O96017 1/20 0.33
PIM1 P11309 1/20 0.33
PLK1 P53350 1/20 0.33
ROCK1 Q13464 1/20 0.33
CDC42BPA Q5VT25 1/20 0.33
AURKB Q96GD4 1/20 0.33
PLK3 Q9H4B4 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
SCHEMBL6386456 1.00 TSHR (0.44) TSHRL3MBTL1PRLHRRPS6KB1ALDH1A1
SCHEMBL6499328 0.83 ALDH1A1 (0.50) ALDH1A1HTTPOLBKMT2ACYP2C19
SCHEMBL6508183 0.83 ALDH1A1 (0.50) ALDH1A1HTTPOLBKMT2ACYP2C19
SCHEMBL6502742 0.82 TSHR (0.49) TSHRL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL6427136 0.82 TSHR (0.49) TSHRL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL6429260 0.82 TSHR (0.49) TSHRL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL6501368 0.82 TSHR (0.49) TSHRL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL6425891 0.82 TSHR (0.49) TSHRL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL6507627 0.80 GRM7 (0.46) TSHRALDH1A1NPC1RAB9AHTT
SCHEMBL6428159 0.80 GRM7 (0.46) TSHRALDH1A1NPC1RAB9AHTT

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 TSHR 2078/4885L3MBTL1 4470/4885PRLHR 1031/4885

“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.