SCHEMBL16772149

SCHEMBL16772149

CCC(=O)NCCNC(=O)COCCOCCNC(=O)CCC(NC)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 8/20 0.52
ALDH1A1 P00352 1/20 0.36
MMP2 P08253 5/20 0.34
MMP9 P14780 5/20 0.34
MMP8 P22894 4/20 0.34
MMP12 P39900 4/20 0.34
MMP14 P50281 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CCKAR P32238 1/20 0.33
CCKBR P32239 1/20 0.33
RECQL P46063 1/20 0.32
NOD1 Q9Y239 1/20 0.32

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
SCHEMBL17424474 0.91 GLP1R (0.53) GLP1RALDH1A1MMP2MMP9MMP8
SCHEMBL25454221 0.90 GLP1R (0.51) GLP1RALDH1A1MMP2MMP9MMP8
SCHEMBL14240744 0.89 GLP1R (0.50) GLP1RALDH1A1MMP2MMP9MMP8
SCHEMBL27120318 0.89 GLP1R (0.50) GLP1RALDH1A1MMP2MMP9MMP8
SCHEMBL27119968 0.89 GLP1R (0.50) GLP1RALDH1A1MEN1KMT2A
SCHEMBL27120257 0.89 GLP1R (0.50) GLP1RALDH1A1MEN1KMT2A
SCHEMBL21440827 0.89 GLP1R (0.50) GLP1RALDH1A1MMP2MMP9MMP8
SCHEMBL71086 0.89 GLP1R (0.50) GLP1RALDH1A1MMP2MMP9MMP8
SCHEMBL14685783 0.88 GLP1R (0.54) GLP1RMEN1KMT2ARECQL
SCHEMBL21096839 0.88 GLP1R (0.52) GLP1RALDH1A1MMP2MMP9MMP8

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-20150150998-A1 METHODS FOR OXIME CONJUGATION TO KETONE-MODIFIED POLYPEPTIDES NOVARTIS AG (CH) 2015-06-04 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-20150150998-A1 METHODS FOR OXIME CONJUGATION TO KETONE-MODIFIED POLYPEPTIDES PTMS, CRYAA, KRTCAP2 GLP1R 1300/4885ALDH1A1 1155/4885MMP2 3444/4885

“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.