SCHEMBL21973371

SCHEMBL21973371

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
MALT1 Q9UDY8 1/20 0.47
TPSAB1 Q15661 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 0.46
MAPT P10636 2/20 0.45
ACE P12821 1/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
AKT1 P31749 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
SYK P43405 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 0.97 MALT1 (0.47) BRD4MALT1TPSAB1TPSD1TPSG1
SCHEMBL21973377 0.97 MALT1 (0.47) BRD4MALT1TPSAB1TPSD1TPSG1
SCHEMBL21973175 0.92 MALT1 (0.49) BRD4MALT1TPSAB1TPSD1TPSG1
SCHEMBL24074196 0.92 MALT1 (0.49) BRD4MALT1TPSAB1TPSD1TPSG1
SCHEMBL1587519 0.90 MAPT (0.59) TPSAB1TPSD1TPSG1MAPTTDP1
SCHEMBL13571030 0.90 SYK (0.56) TPSAB1TPSD1TPSG1MAPTSYK
SCHEMBL19519889 0.88 CTSK (0.47)
SCHEMBL29433151 0.88 CTSK (0.47)
SCHEMBL14923515 0.88 CTSK (0.47)
SCHEMBL19295622 0.87 SYK (0.57) TPSAB1TPSD1TPSG1MAPTMEN1

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 BRD4 3268/4885MALT1 3804/4885TPSAB1 2265/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 BRD4 3268/4885MALT1 3804/4885TPSAB1 2265/4885
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ABCG2 BRD4 1872/4885MALT1 2074/4885TPSAB1 421/4885

“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.