SCHEMBL2416448

SCHEMBL2416448

CCC(C)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
PLA2G2A P14555 1/20 0.46
PLA2G5 P39877 1/20 0.46
ALDH1A1 P00352 5/20 0.45
POLB P06746 1/20 0.45
MME P08473 2/20 0.44
NPSR1 Q6W5P4 2/20 0.41
FOLH1 Q04609 2/20 0.39
NAALAD2 Q9Y3Q0 2/20 0.39
ACE P12821 1/20 0.39
CPA1 P15085 1/20 0.39
ACE2 Q9BYF1 1/20 0.39

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
SCHEMBL2416451 1.00 SMN1; SMN2 (0.47) SMN1; SMN2PLA2G2APLA2G5ALDH1A1POLB
SCHEMBL4023087 0.84 SMN1; SMN2 (0.49) SMN1; SMN2PLA2G2APLA2G5ALDH1A1POLB
SCHEMBL18124448 0.82 MMP1 (0.38)
SCHEMBL9068878 0.82 MME (0.54) SMN1; SMN2PLA2G2APLA2G5ALDH1A1POLB
SCHEMBL11410186 0.79 CYP1A2 (0.55) SMN1; SMN2PLA2G2APLA2G5ALDH1A1POLB
SCHEMBL11949476 0.78 MME (0.60) ALDH1A1MMEFOLH1NAALAD2ACE
SCHEMBL9098442 0.78 NAALAD2 (0.42) ALDH1A1MMEFOLH1NAALAD2ACE
SCHEMBL13963514 0.78 PLA2G2A (0.58) SMN1; SMN2PLA2G2APLA2G5ACE2
SCHEMBL3225061 0.78 PLA2G2A (0.58) SMN1; SMN2PLA2G2APLA2G5ACE2
SCHEMBL1734807 0.78 ALDH1A1 (0.46) SMN1; SMN2PLA2G2APLA2G5ALDH1A1POLB

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-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
WO-2011113066-A1 METHODS AND SYSTEMS USING INTEGRATED METABOLOMICS AND PHARMACOKINETICS FOR MULTI-COMPONENT DRUG EVALUATION THE UNIVERSITY OF NORTH CAROLINA AT GREENSBORO (US) 2011-09-15 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-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS SMN1; SMN2 2633/4885PLA2G2A 1551/4885PLA2G5 2348/4885

“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.