SCHEMBL16921333

SCHEMBL16921333

COCCOCCOCC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.39
▸ CTSK P43235 3/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CAPN1 P07384 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ SIRT5 Q9NXA8 1/20 0.36
▸ KLK7 P49862 1/20 0.36
▸ KLK5 Q9Y337 1/20 0.36

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
SCHEMBL16924988 0.91 TDP1 (0.42) GLP1RCTSKCTSSCAPN1TDP1
SCHEMBL18798881 0.91 TDP1 (0.42) GLP1RCTSKCTSSCAPN1TDP1
SCHEMBL16909068 0.91 GLP1R (0.48) GLP1RCTSKCTSSCAPN1TDP1
SCHEMBL16908998 0.91 GLP1R (0.48) GLP1RCTSKCTSSCAPN1TDP1
SCHEMBL25585043 0.87 GLP1R (0.46) GLP1R
SCHEMBL22096266 0.87 GLP1R (0.46) GLP1R
SCHEMBL19375656 0.86 GLP1R (0.44) GLP1R
SCHEMBL20975589 0.86 GLP1R (0.44) GLP1RCTSKCTSSCAPN1TDP1
SCHEMBL16924990 0.86 GLP1R (0.46) GLP1RCTSKCTSSCAPN1CA1
SCHEMBL18798879 0.86 GLP1R (0.46) GLP1RCTSKCTSSCAPN1CA1

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-9636298-B2 Prodrugs of compounds that enhance antifungal activity and compositions of said prodrugs METHYLGENE INC (CA) 2017-05-02 — — US disclosed
US-20150203517-A1 Prodrugs of Compounds that Enhance Antifungal Activity and Compositions of Said Prodrugs METHYLGENE INC (CA) 2015-07-23 — — 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-20150203517-A1 Prodrugs of Compounds that Enhance Antifungal Activity and Compositions of Said Prodrugs HDAC5, HDAC1, HDAC3 GLP1R 4423/4885CTSK 1074/4885CTSS 202/4885

“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.

Send feedback