SCHEMBL45887

SCHEMBL45887

CCCCCCCCCCCC(=O)NC(CCCCNC(=O)CCOCCOCCOCCOCCOCCC)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.57
▸ NOD1 Q9Y239 3/20 0.53
▸ TLR2 O60603 1/20 0.52
▸ LPAR3 Q9UBY5 4/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ LPAR1 Q92633 2/20 0.45
▸ EPHX2 P34913 1/20 0.44
▸ ALB P02768 1/20 0.43
▸ CASP2 P42575 1/20 0.43

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
SCHEMBL14903000 0.94 GLP1R (0.49) GLP1RNOD1TLR2SIRT2ALB
SCHEMBL45885 0.93 GLP1R (0.56) GLP1RNOD1TLR2LPAR3SIRT2
SCHEMBL16525843 0.93 GLP1R (0.56) GLP1RNOD1TLR2LPAR3SIRT2
SCHEMBL15084766 0.89 NOD1 (0.63) GLP1RNOD1TLR2LPAR3EPHX2
SCHEMBL22055442 0.88 GLP1R (0.67) GLP1RNOD1TLR2LPAR3SIRT2
SCHEMBL14642472 0.88 GLP1R (0.67) GLP1RNOD1TLR2LPAR3SIRT2
SCHEMBL22674784 0.86 NOD1 (0.53) GLP1RNOD1TLR2LPAR3SIRT2
SCHEMBL24601556 0.86 GLP1R (0.52) GLP1RNOD1TLR2SIRT2ALB
SCHEMBL12680258 0.86 TLR2 (0.56) GLP1RTLR2
SCHEMBL13347257 0.86 TLR2 (0.56) GLP1RTLR2

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-8906847-B2 Prodrug comprising a drug linker conjugate ASCENDIS PHARMA A/S (DK) 2014-12-09 — — US disclosed
US-20110053848-A1 PRODRUG COMPRISING A DRUG LINKER CONJUGATE ASCENDIS PHARMA AS (DK) 2011-03-03 — — 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-20110053848-A1 PRODRUG COMPRISING A DRUG LINKER CONJUGATE H1-0, H1-3, H1-2 GLP1R 194/4885NOD1 2672/4885TLR2 1184/4885

“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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