SCHEMBL4256053

SCHEMBL4256053

CCC(C)OC(=O)C(C(=O)O)c1c(Cl)cnn(COC)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.37
HTT P42858 9/20 0.37
NPSR1 Q6W5P4 9/20 0.37
NPC1 O15118 8/20 0.37
RAB9A P51151 8/20 0.37
LMNA P02545 6/20 0.37
S1PR4 O95977 4/20 0.37
S1PR1 P21453 4/20 0.37
S1PR2 O95136 3/20 0.37
HSP90AA1 P07900 3/20 0.37
HPGD P15428 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
TLR9 Q9NR96 2/20 0.37
HCRTR1 O43613 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 9/20 0.35
JAK2 O60674 2/20 0.35

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
SCHEMBL4255992 0.85 NPBWR1 (0.46) ALDH1A1HTTNPSR1NPC1RAB9A
SCHEMBL4254540 0.85 ALDH1A1 (0.37) ALDH1A1HTTNPSR1NPC1RAB9A
SCHEMBL27751749 0.76 ALDH1A1 (0.39) ALDH1A1HTTNPSR1NPC1RAB9A
SCHEMBL4253346 0.70 ALDH1A1 (0.41) ALDH1A1HTTNPSR1NPC1RAB9A
SCHEMBL1372817 0.67 HTT (0.56) ALDH1A1HTTNPSR1NPC1RAB9A
SCHEMBL1376441 0.67 GAA (0.51) ALDH1A1HTTNPSR1NPC1RAB9A
SCHEMBL4255564 0.66 ALDH1A1 (0.44) ALDH1A1HTTNPSR1NPC1RAB9A
SCHEMBL940332 0.66 MAPK1 (0.40) ALDH1A1LMNAS1PR1CYP1A2CYP2C19
SCHEMBL5772798 0.66 MAPT (0.35) ALDH1A1HTTNPSR1NPC1LMNA
SCHEMBL4254535 0.66 ALDH1A1 (0.44) ALDH1A1HTTNPSR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481537-B2 Caspase inhibitors based of pyridazinone scaffold LG LIFE SCIENCES LTD. (KR) 2013-07-09 US disclosed
US-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2009-11-26 US disclosed
EP-2046757-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG Life Sciences Ltd. (KR) 2009-04-15 EP disclosed
WO-2008016239-A1 CASPASE INHIBITORS BASED ON PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2008-02-07 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-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD CASP1, CASP2, CASP5 ALDH1A1 3705/4885HTT 3351/4885NPSR1 4782/4885

“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.