SCHEMBL21973376

SCHEMBL21973376

CC(C)(C)OC(=O)NCCCC(CN)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
GAA P10253 1/20 0.60
KMT2A Q03164 1/20 0.60
TDP1 Q9NUW8 2/20 0.51
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CA1 P00915 9/20 0.43
CA2 P00918 9/20 0.43
CA12 O43570 6/20 0.43
CA9 Q16790 6/20 0.43
CTSK P43235 3/20 0.40
CTSS P25774 1/20 0.40
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
CAPN1 P07384 1/20 0.40
CA7 P43166 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL21973173 1.00 MEN1 (0.60) MEN1GAAKMT2ATDP1MAOA
SCHEMBL12667478 1.00 MEN1 (0.60) MEN1GAAKMT2ATDP1MAOA
SCHEMBL22162664 0.95 MEN1 (0.55) MEN1GAAKMT2ATDP1MAOA
SCHEMBL13767609 0.95 MEN1 (0.55) MEN1GAAKMT2ATDP1MAOA
SCHEMBL3176198 0.91 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL21974034 0.91 MEN1 (0.51) MEN1GAAKMT2ATDP1MAOA
SCHEMBL29325735 0.91 MEN1 (0.51) MEN1GAAKMT2ATDP1MAOA
SCHEMBL12954774 0.91 MEN1 (0.51) MEN1GAAKMT2ATDP1MAOA
SCHEMBL6244166 0.86 MEN1 (0.62) MEN1GAAKMT2ATDP1MAOA
SCHEMBL7730493 0.86 MEN1 (0.62) MEN1GAAKMT2ATDP1MAOA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180459-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-11-23 US disclosed
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2021-04-01 US disclosed
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2020-05-07 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 (3 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-11180459-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 MEN1 4292/4885GAA 199/4885KMT2A 4690/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 MEN1 4292/4885GAA 199/4885KMT2A 4690/4885
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ABCG2 MEN1 4275/4885GAA 1063/4885KMT2A 4541/4885

“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.