SCHEMBL13311701

SCHEMBL13311701

CCCC(=O)NCCCC[C@@H](N)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 5/20 0.59
▸ CASP2 P42575 1/20 0.58
▸ OTC P00480 1/20 0.54
▸ DPP7 Q9UHL4 2/20 0.51
▸ DDAH1 O94760 2/20 0.50
▸ NOS1 P29475 1/20 0.50
▸ GNAI3 P08754 1/20 0.49
▸ GNAO1 P09471 1/20 0.49
▸ GNAI1 P63096 1/20 0.49
▸ GSR P00390 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ NAAA Q02083 1/20 0.46
▸ RRM1 P23921 1/20 0.44
▸ GRIK1 P39086 1/20 0.44
▸ SLC1A2 P43004 1/20 0.44
▸ SLC1A1 P43005 1/20 0.44
▸ GRIK2 Q13002 1/20 0.44

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
SCHEMBL20704842 1.00 NOD1 (0.59) NOD1CASP2OTCDPP7DDAH1
SCHEMBL1422751 1.00 NOD1 (0.59) NOD1CASP2OTCDPP7DDAH1
SCHEMBL16860748 0.95 NOD1 (0.60) NOD1CASP2OTCDPP7DDAH1
SCHEMBL16860728 0.95 NOD1 (0.60) NOD1CASP2OTCDPP7DDAH1
SCHEMBL27455405 0.92 NOD1 (0.65) NOD1CASP2OTCDPP7DDAH1
SCHEMBL20162087 0.90 NOD1 (0.71) NOD1CASP2OTCDPP7GNAI3
SCHEMBL17393486 0.90 NOD1 (0.71) NOD1CASP2OTCDPP7GNAI3
SCHEMBL358468 0.89 NOD1 (0.74) NOD1CASP2DPP7GNAI3GNAO1
SCHEMBL2386271 0.89 NOD1 (0.74) NOD1CASP2DPP7GNAI3GNAO1
SCHEMBL308741 0.89 NOD1 (0.74) NOD1CASP2DPP7GNAI3GNAO1

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-20100136034-A1 NOVEL MULTIMERIC MOLECULES, A PROCESS FOR PREPARING THE SAME AND THE USE THEREOF FOR MANUFACTURING MEDICINAL DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-06-03 — — 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-20100136034-A1 NOVEL MULTIMERIC MOLECULES, A PROCESS FOR PREPARING THE SAME AND THE USE THEREOF FOR MANUFACTURING MEDICINAL DRUGS TNFRSF1A, TNFRSF9, CD40 NOD1 62/4885CASP2 1953/4885OTC 4429/4885

“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.

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