SCHEMBL13347257

SCHEMBL13347257

CCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@@H](NC(=O)CCOCCOCCOCCOCCOCCOCCC)C(=O)NC(CCCCN)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 1/20 0.56
▸ GLP1R P43220 8/20 0.48
▸ SIRT6 Q8N6T7 1/20 0.46
▸ SIRT1 Q96EB6 1/20 0.46
▸ NMT2 O60551 3/20 0.46
▸ NMT1 P30419 3/20 0.46
▸ ROCK2 O75116 3/20 0.46
▸ PRKACA P17612 1/20 0.46
▸ AKT3 Q9Y243 1/20 0.46
▸ SIRT5 Q9NXA8 1/20 0.43
▸ CHRNA1 P02708 1/20 0.41
▸ CHRNG P07510 1/20 0.41
▸ CHRNB1 P11230 1/20 0.41
▸ CHRND Q07001 1/20 0.41

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
SCHEMBL12680258 1.00 TLR2 (0.56) TLR2GLP1RSIRT6SIRT1NMT2
SCHEMBL13347258 0.94 TLR2 (0.49) TLR2GLP1RSIRT6SIRT1NMT2
SCHEMBL14903000 0.91 GLP1R (0.49) TLR2GLP1RSIRT6SIRT1SIRT5
SCHEMBL13371966 0.89 GLP1R (0.48) TLR2GLP1RSIRT6SIRT1NMT2
SCHEMBL16327810 0.89 TLR2 (0.57) TLR2GLP1RSIRT6SIRT1NMT2
SCHEMBL45887 0.86 GLP1R (0.57) TLR2GLP1R
SCHEMBL30094802 0.85 GLP1R (0.59) TLR2GLP1RSIRT6SIRT1NMT2
SCHEMBL13347272 0.84 GLP1R (0.48) TLR2GLP1RSIRT6SIRT1NMT2
SCHEMBL12680289 0.84 ALB (0.48) CHRNA1CHRNGCHRNB1CHRND
SCHEMBL25454957 0.83 GLP1R (0.46) TLR2GLP1RNMT2NMT1ROCK2

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-20100111865-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-05-06 — — US disclosed
US-20100111865-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2010-05-06 — — 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-20100111865-A1 CONTRAST AGENTS CSGALNACT1, HPSE, SERPINC1 TLR2 1504/4885GLP1R 809/4885SIRT6 4265/4885

“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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