SCHEMBL22684529

SCHEMBL22684529

CCCCCCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)NCCN

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.55
PLA2G2C Q5R387 1/20 0.55
PLA2G10 O15496 1/20 0.54
GLP1R P43220 7/20 0.53
SIRT6 Q8N6T7 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
TLR2 O60603 1/20 0.52
LPAR3 Q9UBY5 2/20 0.51
SLC6A5 Q9Y345 1/20 0.51
NMT2 O60551 1/20 0.51
NMT1 P30419 1/20 0.51

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
SCHEMBL18202817 0.94 NMT2 (0.59) NOD1PLA2G10GLP1RSIRT6SIRT1
SCHEMBL22684576 0.92 SIRT6 (0.63) GLP1RSIRT6SIRT1TLR2LPAR3
SCHEMBL6931475 0.92 NOD1 (0.60) NOD1PLA2G2CPLA2G10GLP1RLPAR3
SCHEMBL9517290 0.91 GLP1R (0.61) NOD1PLA2G2CGLP1RLPAR3
SCHEMBL9441752 0.91 GLP1R (0.61) NOD1PLA2G2CGLP1RLPAR3
SCHEMBL2339541 0.87 NMT1 (0.63) NOD1GLP1RSIRT6SIRT1TLR2
SCHEMBL15720865 0.87 NMT1 (0.63) NOD1GLP1RSIRT6SIRT1TLR2
SCHEMBL15720614 0.87 NMT1 (0.63) NOD1GLP1RSIRT6SIRT1TLR2
SCHEMBL14683578 0.86 NOD1 (0.52) NOD1PLA2G2CPLA2G10GLP1RLPAR3
SCHEMBL15720863 0.86 SIRT6 (0.64) NOD1GLP1RSIRT6SIRT1TLR2

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 NOD1 3454/4885PLA2G2C 382/4885PLA2G10 183/4885

“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.