SCHEMBL544174

SCHEMBL544174

O=C1NC(=O)C(S)(c2nc3ccccc3s2)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 5/20 0.48
DDB1 Q16531 2/20 0.46
AKR1B1 P15121 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.37
PSMB8 P28062 1/20 0.37
PSMB5 P28074 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ADRA2A P08913 1/20 0.37
FBP1 P09467 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
DRD2 P14416 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL10548809 0.76 CRBN (0.44) CRBNDDB1MEN1NPC1MAPT
SCHEMBL11427811 0.68 CASR (0.45) CRBNMEN1NPC1MAPTRAB9A
SCHEMBL3198263 0.67 CYP2C9 (0.59) AKR1B1MAPTALDH1A1
SCHEMBL24281022 0.66 KMT2A (0.50) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL21484150 0.65 CRBN (1.00) CRBNDDB1MEN1NPC1MAPT
SCHEMBL14938872 0.65 NPC1 (0.43) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL13508831 0.64 ALDH1A1 (0.42) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL3677914 0.64 CHRM2 (0.44) MEN1NPC1MAPTRAB9AKMT2A
SCHEMBL23067574 0.64 CRBN (1.00) CRBNDDB1NPC1MAPTRAB9A
SCHEMBL22148423 0.63 NPC1 (0.47) MEN1NPC1MAPTRAB9AKMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110686-B2 Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKI KABUSHIKI KAISHA (JP) 2012-02-07 US disclosed
US-20110028514-A1 Azoles as Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-02-03 US disclosed
US-7709510-B2 Azoles as malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 US disclosed
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-05-13 US disclosed
EP-1370260-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-12-17 EP disclosed
WO-2003090746-A1 1,3-THIAZOLES AS LXR MODULATORS IN THE TREATMENT OF CARDIOVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-06 WO disclosed
WO-2002066035-A2 AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-29 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 (2 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-20110028514-A1 Azoles as Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators ME3, ME1, MLYCD CRBN 1732/4885DDB1 1383/4885AKR1B1 11/4885
US-20040092503-A1 Azoles as malonyl-coa decarboxylase inhibitors useful as metabolic modulators ME1, ME3, ME2 CRBN 2162/4885DDB1 1279/4885AKR1B1 13/4885

“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.