SCHEMBL8183191

SCHEMBL8183191

C[C@H](NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 1/20 0.57
CTSK P43235 6/20 0.53
CTSS P25774 5/20 0.53
TDP1 Q9NUW8 3/20 0.49
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CAPN1 P07384 1/20 0.46
CXCR3 P49682 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46
MAPT P10636 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
ATM Q13315 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44

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
SCHEMBL16909076 1.00 MEN1 (0.57) MEN1GAAKMT2ACTSKCTSS
SCHEMBL9980623 0.96 MEN1 (0.62) MEN1GAAKMT2ACTSKCTSS
SCHEMBL16389157 0.91 MEN1 (0.58) MEN1GAAKMT2ACTSKCTSS
SCHEMBL13702218 0.91 MEN1 (0.58) MEN1GAAKMT2ACTSKCTSS
SCHEMBL13702219 0.91 MEN1 (0.58) MEN1GAAKMT2ACTSKCTSS
SCHEMBL9980658 0.91 KMT2A (0.54) MEN1GAAKMT2ACTSKCTSS
SCHEMBL29918239 0.90 TDP1 (0.56) MEN1GAAKMT2ACTSKCTSS
SCHEMBL12192760 0.88 MEN1 (0.56) MEN1GAAKMT2ACTSKCTSS
SCHEMBL16504634 0.88 MEN1 (0.58) MEN1GAAKMT2ACTSKCTSS
SCHEMBL16504731 0.88 MEN1 (0.58) MEN1GAAKMT2ACTSKCTSS

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 8 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-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-8741834-B2 Dipeptoid prodrugs and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-03 US disclosed
US-20110294719-A1 DIPEPTOID PRODRUGS AND THE USE THEREOF Bayer Schering Pharma 2011-12-01 US disclosed
US-6034055-A Glycosyl-amides of 2-aminoacylamino-2-deoxy-sugars BAYER AKTIENGESELLSCHAFT (DE) 2000-03-07 US disclosed
US-5905071-A IMMUNE SYSTEM STIMULATORS BAYER AKTIENGESELLSCHAFT (DE) 1999-05-18 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 (2 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 MEN1 1543/4885GAA 381/4885KMT2A 230/4885
US-20110294719-A1 DIPEPTOID PRODRUGS AND THE USE THEREOF DPP4, DPP3, DNPEP MEN1 2410/4885GAA 2730/4885KMT2A 3242/4885

“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.