SCHEMBL18063333

SCHEMBL18063333

CC(C)(C)OC(=O)NC[C@H](CCCNC(=O)O)NC(=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
▸ TDP1 Q9NUW8 2/20 0.45
▸ SYK P43405 1/20 0.43
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CTSS P25774 6/20 0.39
▸ CTSK P43235 6/20 0.39
▸ CAPN1 P07384 1/20 0.38
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ STK17B O94768 1/20 0.36
▸ STK17A Q9UEE5 1/20 0.36
▸ ATM Q13315 2/20 0.35

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
SCHEMBL20358462 0.96 MEN1 (0.52) MEN1GAAKMT2ATDP1SYK
SCHEMBL5064563 0.84 MEN1 (0.53) MEN1GAAKMT2ATDP1SYK
SCHEMBL4883369 0.84 MEN1 (0.53) MEN1GAAKMT2ATDP1SYK
SCHEMBL5064566 0.84 MEN1 (0.53) MEN1GAAKMT2ATDP1SYK
SCHEMBL4883374 0.84 MEN1 (0.53) MEN1GAAKMT2ATDP1SYK
SCHEMBL3185091 0.84 MEN1 (0.63) MEN1GAAKMT2ATDP1MAOA
SCHEMBL3185698 0.83 MEN1 (0.61) MEN1GAAKMT2ATDP1MAOA
SCHEMBL4887485 0.83 MEN1 (0.48) MEN1GAAKMT2ATDP1SYK
SCHEMBL4883844 0.83 MEN1 (0.55) MEN1GAAKMT2ATDP1SYK
SCHEMBL4888732 0.83 MEN1 (0.55) MEN1GAAKMT2ATDP1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9950993-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-04-24 — — US disclosed
US-9926261-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-03-27 — — US disclosed
US-20160271082-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-22 — — US disclosed
US-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-09-22 — — 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-20160271081-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 MEN1 4227/4885GAA 178/4885KMT2A 4731/4885
US-20160271082-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 MEN1 4227/4885GAA 178/4885KMT2A 4731/4885

“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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