SCHEMBL22473591

SCHEMBL22473591

CNCCCC[C@H](NC(=O)CCCCN=[N+]=[N-])C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 1/20 0.39
▸ ROCK2 O75116 4/20 0.38
▸ PRKACA P17612 2/20 0.38
▸ AKT3 Q9Y243 2/20 0.38
▸ ALB P02768 1/20 0.37
▸ NOD1 Q9Y239 4/20 0.36
▸ SLC6A5 Q9Y345 2/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ NMT2 O60551 1/20 0.34
▸ NMT1 P30419 1/20 0.34
▸ SIRT5 Q9NXA8 2/20 0.34

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
SCHEMBL21216654 0.87 TLR2 (0.37) TLR2ROCK2PRKACAAKT3ALB
SCHEMBL12227120 0.81 NOD1 (0.44) TLR2ROCK2PRKACAAKT3ALB
SCHEMBL24592963 0.80 SIRT5 (0.47) TLR2ROCK2PRKACAAKT3NOD1
SCHEMBL25026533 0.79 NOD1 (0.41) ROCK2PRKACAAKT3ALBNOD1
SCHEMBL31384213 0.76 NOD1 (0.52) ALBNOD1
SCHEMBL31384226 0.76 NOD1 (0.41) ALBNOD1
SCHEMBL27037078 0.76 ROCK2 (0.33) TLR2ROCK2PRKACAAKT3NOD1
SCHEMBL24630046 0.76 NOD1 (0.48) ALBNOD1SLC6A5
SCHEMBL29072117 0.76 NOD1 (0.48) ALBNOD1SLC6A5
SCHEMBL29072118 0.76 NOD1 (0.48) ALBNOD1SLC6A5

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-10786576-B2 Fatty acids and their use in conjugation to biomolecules NOVARTIS AG (CH) 2020-09-29 — — 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-10786576-B2 Fatty acids and their use in conjugation to biomolecules FABP1, FABP2, FABP3 TLR2 373/4885ROCK2 1248/4885PRKACA 4012/4885

“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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