SCHEMBL16924988

SCHEMBL16924988

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.42
▸ ATM Q13315 2/20 0.42
▸ POLB P06746 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ KLK7 P49862 1/20 0.40
▸ KLK5 Q9Y337 1/20 0.40
▸ GLP1R P43220 5/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CTSK P43235 2/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CAPN1 P07384 1/20 0.39
▸ GAA P10253 1/20 0.38

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
SCHEMBL18798881 1.00 TDP1 (0.42) TDP1ATMPOLBMEN1KMT2A
SCHEMBL16909068 0.91 GLP1R (0.48) TDP1ATMMEN1KMT2AGLP1R
SCHEMBL16908998 0.91 GLP1R (0.48) TDP1ATMMEN1KMT2AGLP1R
SCHEMBL16921333 0.91 GLP1R (0.39) TDP1ATMPOLBMEN1KMT2A
SCHEMBL3485748 0.88 GLP1R (0.45) TDP1ATMPOLBMEN1KMT2A
SCHEMBL3485751 0.88 GLP1R (0.45) TDP1ATMPOLBMEN1KMT2A
SCHEMBL18798879 0.86 GLP1R (0.46) GLP1RCTSKCTSSCAPN1
SCHEMBL20975589 0.86 GLP1R (0.44) TDP1ATMMEN1KMT2AGLP1R
SCHEMBL16909223 0.86 GLP1R (0.50) GLP1RCTSKCTSSCAPN1
SCHEMBL16924990 0.86 GLP1R (0.46) GLP1RCTSKCTSSCAPN1

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 TDP1 1097/4885ATM 3444/4885POLB 1992/4885

“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.

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