SCHEMBL16690458

SCHEMBL16690458

CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)Oc1ccccc1C=O)[C@@H](C)OC(=O)[C@H](CC(=O)c1ccccc1N)NC(=O)[C@@H](NC(=O)[C@H](N)CO)[C@H](C)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 14/20 0.46
ECE1 P42892 1/20 0.46
MUS81 Q96NY9 1/20 0.46
RXFP1 Q9HBX9 3/20 0.45
CCKBR P32239 2/20 0.44
CCKAR P32238 1/20 0.43
GCGR P47871 1/20 0.43
ERBB2 P04626 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
SCHEMBL21250581 0.94 IL23R (0.47) GLP1RRXFP1ERBB2
SCHEMBL24625800 0.85 GLP1R (0.56) GLP1RECE1MUS81RXFP1CCKBR
SCHEMBL8230353 0.85 GLP1R (0.56) GLP1RECE1MUS81RXFP1CCKBR
SCHEMBL26236645 0.85 GLP1R (0.46) GLP1RECE1MUS81RXFP1CCKBR
SCHEMBL12124805 0.80 GLP1R (0.53) GLP1RECE1MUS81RXFP1CCKBR
SCHEMBL19880213 0.79 GLP1R (0.48) GLP1RECE1MUS81GCGR
SCHEMBL92822 0.79 PRMT1 (0.55) GLP1RECE1MUS81CCKBRERBB2
SCHEMBL14274715 0.77 GLP1R (0.49) GLP1RRXFP1CCKBRCCKAR
SCHEMBL21416499 0.76 GLP1R (0.47) GLP1RECE1MUS81GCGR
SCHEMBL8227196 0.75 CCKAR (0.56) GLP1RCCKBRCCKARGCGRERBB2

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-20150126707-A1 DAPTOMYCIN ANALOGUES AND A METHOD FOR THE PREPARATION OF DAPTOMYCIN OR A DAPTOMYCIN ANALOGUE THE UNIVERSITY OF HONG KONG (CN) 2015-05-07 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-20150126707-A1 DAPTOMYCIN ANALOGUES AND A METHOD FOR THE PREPARATION OF DAPTOMYCIN OR A DAPTOMYCIN ANALOGUE SCD, SCD5, FASN GLP1R 1435/4885ECE1 2849/4885MUS81 1645/4885

“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.