SCHEMBL22684576

SCHEMBL22684576

CCCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)NCCCCN

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.63
SIRT1 Q96EB6 1/20 0.63
TLR2 O60603 1/20 0.60
GRIA1 P42261 1/20 0.56
GLP1R P43220 8/20 0.56
LPAR3 Q9UBY5 3/20 0.55
SLC6A5 Q9Y345 1/20 0.55
NMT2 O60551 1/20 0.55
NMT1 P30419 1/20 0.55
GNAI3 P08754 1/20 0.54
GNAO1 P09471 1/20 0.54
GNAI1 P63096 1/20 0.54
LPAR1 Q92633 1/20 0.54

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
SCHEMBL9517290 0.94 GLP1R (0.61) GLP1RLPAR3LPAR1
SCHEMBL9441752 0.94 GLP1R (0.61) GLP1RLPAR3LPAR1
SCHEMBL22684529 0.92 NOD1 (0.55) SIRT6SIRT1TLR2GLP1RLPAR3
SCHEMBL6931475 0.92 NOD1 (0.60) GLP1RLPAR3LPAR1
SCHEMBL23519401 0.91 SIRT6 (0.76) SIRT6SIRT1TLR2GRIA1GLP1R
SCHEMBL20542815 0.91 SIRT6 (0.76) SIRT6SIRT1TLR2GRIA1GLP1R
SCHEMBL20543069 0.91 SIRT6 (0.76) SIRT6SIRT1TLR2GRIA1GLP1R
SCHEMBL20542813 0.91 SIRT6 (0.76) SIRT6SIRT1TLR2GRIA1GLP1R
SCHEMBL20543067 0.91 SIRT6 (0.76) SIRT6SIRT1TLR2GRIA1GLP1R
SCHEMBL20542968 0.91 SIRT6 (0.76) SIRT6SIRT1TLR2GRIA1GLP1R

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-20210177981-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED INSULIN DELIVERY MERCK SHARP & DOHME CORP. (US) 2021-06-17 US disclosed
EP-3740212-A2 CONJUGATE BASED SYSTEMS FOR CONTROLLED INSULIN DELIVERY Merck Sharp & Dohme Corp. (US) 2020-11-25 EP 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-20210177981-A1 CONJUGATE BASED SYSTEMS FOR CONTROLLED INSULIN DELIVERY GPR119, INSR, IGF1R SIRT6 1449/4885SIRT1 2338/4885TLR2 434/4885

“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.