SCHEMBL21973377

SCHEMBL21973377

CC(C)(C)OC(=O)NCCC[C@H](CN1C(=O)c2ccccc2C1=O)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.47
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
BRD4 O60885 1/20 0.46
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
AKT1 P31749 1/20 0.41
MAPT P10636 1/20 0.41
SYK P43405 1/20 0.41
ATM Q13315 1/20 0.41
DRD2 P14416 2/20 0.41
KCNA5 P22460 1/20 0.41
CTSK P43235 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
MMP1 P03956 1/20 0.40

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
SCHEMBL21973378 1.00 MALT1 (0.47) MALT1MEN1GAAKMT2ABRD4
SCHEMBL21973371 0.97 BRD4 (0.47) MALT1MEN1GAAKMT2ABRD4
SCHEMBL21973175 0.93 MALT1 (0.49) MALT1MEN1GAAKMT2ABRD4
SCHEMBL24074196 0.93 MALT1 (0.49) MALT1MEN1GAAKMT2ABRD4
SCHEMBL19295622 0.90 SYK (0.57) MEN1GAAKMT2ATPSAB1TPSD1
SCHEMBL19519889 0.89 CTSK (0.47) ATMCTSK
SCHEMBL29433151 0.89 CTSK (0.47) ATMCTSK
SCHEMBL14923515 0.89 CTSK (0.47) ATMCTSK
SCHEMBL13571030 0.87 SYK (0.56) TPSAB1TPSD1TPSG1MAPTSYK
SCHEMBL1587519 0.87 MAPT (0.59) TPSAB1TPSD1TPSG1MAPTSYK

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-11826357-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-11-28 US disclosed
US-11180459-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-11-23 US disclosed
US-20200197382-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-06-25 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 (4 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 MALT1 3804/4885MEN1 4292/4885GAA 199/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 MALT1 3804/4885MEN1 4292/4885GAA 199/4885
US-20200197382-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 MALT1 3804/4885MEN1 4292/4885GAA 199/4885
US-11826357-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 MALT1 3804/4885MEN1 4292/4885GAA 199/4885

“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.