SCHEMBL13675239

SCHEMBL13675239

CCCCCCC[C@@H](N)CC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 6/20 0.52
S1PR1 P21453 6/20 0.52
S1PR3 Q99500 5/20 0.52
S1PR4 O95977 4/20 0.52
ALDH1A1 P00352 1/20 0.48
GPR84 Q9NQS5 7/20 0.47
PLA2G1B P04054 1/20 0.47
PLA2G2A P14555 1/20 0.47
LAP3 P28838 1/20 0.47
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
SPHK1 Q9NYA1 1/20 0.45
FFAR1 O14842 1/20 0.45

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
SCHEMBL28305103 1.00 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR4ALDH1A1
SCHEMBL1561204 1.00 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR4ALDH1A1
SCHEMBL6874674 0.91 CA2 (0.43) S1PR2S1PR1S1PR3S1PR4ALDH1A1
SCHEMBL25754164 0.91 CA2 (0.43) S1PR2S1PR1S1PR3S1PR4ALDH1A1
SCHEMBL28329552 0.88 FAAH (0.50) S1PR2S1PR1S1PR3S1PR4
SCHEMBL6802942 0.83 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR4ALDH1A1
SCHEMBL5419098 0.83 S1PR2 (0.63) S1PR2S1PR1S1PR3S1PR4ALDH1A1
SCHEMBL4390623 0.83 S1PR2 (0.63) S1PR2S1PR1S1PR3S1PR4ALDH1A1
SCHEMBL22660994 0.83 S1PR2 (0.63) S1PR2S1PR1S1PR3S1PR4ALDH1A1
SCHEMBL10804885 0.83 S1PR2 (0.63) S1PR2S1PR1S1PR3S1PR4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264419-A1 CYCLIC MALONAMIDES AS INHIBITORS OF Abeta PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-10-22 US 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-20090264419-A1 CYCLIC MALONAMIDES AS INHIBITORS OF Abeta PROTEIN PRODUCTION APP, BACE1, APBA1 S1PR2 3913/4885S1PR1 3789/4885S1PR3 4091/4885

“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.