SCHEMBL16908998

SCHEMBL16908998

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.48
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CTSK P43235 4/20 0.41
▸ CTSS P25774 2/20 0.41
▸ CAPN1 P07384 1/20 0.41
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SUCNR1 Q9BXA5 1/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.38
▸ TGM2 P21980 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
SCHEMBL16909068 1.00 GLP1R (0.48) GLP1RMEN1GAAKMT2AALDH1A1
SCHEMBL27145928 0.91 CAPN1 (0.46) GLP1RMEN1GAAKMT2AALDH1A1
SCHEMBL21713192 0.91 CAPN1 (0.46) GLP1RMEN1GAAKMT2AALDH1A1
SCHEMBL27145930 0.91 CAPN1 (0.46) GLP1RMEN1GAAKMT2AALDH1A1
SCHEMBL16921333 0.91 GLP1R (0.39) GLP1RMEN1GAAKMT2ACTSK
SCHEMBL16924988 0.91 TDP1 (0.42) GLP1RMEN1GAAKMT2ACTSK
SCHEMBL18798881 0.91 TDP1 (0.42) GLP1RMEN1GAAKMT2ACTSK
SCHEMBL21713193 0.91 CAPN1 (0.46) GLP1RMEN1GAAKMT2AALDH1A1
SCHEMBL31045346 0.91 CAPN1 (0.46) GLP1RMEN1GAAKMT2AALDH1A1
SCHEMBL27150954 0.91 CAPN1 (0.46) GLP1RMEN1GAAKMT2AALDH1A1

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 6 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-9636298-B2 Prodrugs of compounds that enhance antifungal activity and compositions of said prodrugs METHYLGENE INC (CA) 2017-05-02 — — US disclosed
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
US-20150203517-A1 Prodrugs of Compounds that Enhance Antifungal Activity and Compositions of Said Prodrugs METHYLGENE INC (CA) 2015-07-23 — — 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 4423/4885MEN1 1543/4885GAA 381/4885

“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