SCHEMBL12666362

SCHEMBL12666362

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
GAA P10253 1/20 0.62
TDP1 Q9NUW8 2/20 0.57
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
CTSK P43235 4/20 0.41
CTSS P25774 3/20 0.41
CA7 P43166 1/20 0.41
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
CAPN1 P07384 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL19301024 1.00 MEN1 (0.62) MEN1KMT2AGAATDP1MAOA
SCHEMBL7730493 1.00 MEN1 (0.62) MEN1KMT2AGAATDP1MAOA
SCHEMBL8062203 0.95 TDP1 (0.59) MEN1KMT2AGAATDP1MAOA
SCHEMBL10190369 0.95 TDP1 (0.59) MEN1KMT2AGAATDP1MAOA
SCHEMBL23168272 0.95 TDP1 (0.59) MEN1KMT2AGAATDP1MAOA
SCHEMBL3185091 0.91 MEN1 (0.63) MEN1KMT2AGAATDP1MAOA
SCHEMBL5652312 0.91 MEN1 (0.55) MEN1KMT2AGAATDP1MAOA
SCHEMBL29325753 0.90 MEN1 (0.53) MEN1KMT2AGAATDP1MAOA
SCHEMBL12954841 0.90 MEN1 (0.53) MEN1KMT2AGAATDP1MAOA
SCHEMBL14003800 0.89 MEN1 (0.51) MEN1KMT2AGAATDP1MAOA

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 12 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
WO-2022234867-A1 SULFONAMIDE HAVING MMP 7-INHIBITING ACTION 大正製薬株式会社 2022-11-10 WO disclosed
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-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
EP-1697400-B1 BIPHENYL-SUBSTITUTED ANTIBACTERIAL MACROCYCLES AICURIS GMBH & CO KG (DE) 2011-05-25 EP disclosed
US-7655643-B2 Antibacterial macrocycles with substituted biphenyl AICURIS GMBH & CO. KG (DE) 2010-02-02 US disclosed
US-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V AICURIS GMBH & CO. KG (DE) 2008-11-06 US disclosed
US-7446102-B2 Antibacterial amide macrocycles IV AICURIS GMBH & CO. KG (DE) 2008-11-04 US disclosed
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO. KG (DE) 2008-03-27 US disclosed
US-20070099885-A1 Antibacterial macrocycles with substituted biphenyl AICURIS GMBH & CO. KG (DE) 2007-05-03 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 (8 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 4292/4885KMT2A 4690/4885GAA 199/4885
US-20080076745-A1 ANTIBACTERIAL AMIDE MACROCYCLES IV NOD2, AAAS, AADAC MEN1 2081/4885KMT2A 3059/4885GAA 342/4885
US-20070099885-A1 Antibacterial macrocycles with substituted biphenyl NOD2, AHR, BCL2 MEN1 1957/4885KMT2A 3328/4885GAA 810/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 MEN1 4292/4885KMT2A 4690/4885GAA 199/4885
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ABCG2 MEN1 4275/4885KMT2A 4541/4885GAA 1063/4885
US-20080275018-A1 ANTIBACTERIAL AMIDE-MACROCYCLES V ARG1, HRH3, H1-0 MEN1 1513/4885KMT2A 1254/4885GAA 3747/4885
US-20200197382-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 MEN1 4292/4885KMT2A 4690/4885GAA 199/4885
US-11826357-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 MEN1 4292/4885KMT2A 4690/4885GAA 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.