SCHEMBL305162

SCHEMBL305162

COc1ccc(CCC(=O)OCc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.68
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
TDP1 Q9NUW8 2/20 0.60
FFAR1 O14842 2/20 0.60
ALDH1A1 P00352 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
PLAAT3 P53816 1/20 0.57
PLAAT5 Q96KN8 1/20 0.57
PLAAT2 Q9NWW9 1/20 0.57
PLAAT4 Q9UL19 1/20 0.57
LMNA P02545 1/20 0.56
F2RL1 P55085 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
CHRM5 P08912 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52

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
SCHEMBL26023562 1.00 MAPT (0.68) MAPTNPC1RAB9ATDP1FFAR1
SCHEMBL31329294 0.91 ALDH1A1 (0.61) MAPTNPC1RAB9ATDP1FFAR1
SCHEMBL490534 0.88 TDP1 (0.70) MAPTNPC1RAB9ATDP1FFAR1
SCHEMBL304176 0.87 TDP1 (0.78) MAPTTDP1FFAR1ALDH1A1L3MBTL1
SCHEMBL7276062 0.86 FFAR1 (0.74) TDP1FFAR1LMNAFFAR4ALOX5
Ammonia Solution, Strong SCHEMBL28588274 0.85 TDP1 (0.75) MAPTTDP1FFAR1ALDH1A1L3MBTL1
SCHEMBL28207503 0.85 TDP1 (0.75) MAPTTDP1FFAR1ALDH1A1L3MBTL1
SCHEMBL3732372 0.85 ALDH1A1 (0.59) MAPTNPC1RAB9AFFAR1ALDH1A1
Bicarbonate SCHEMBL7699565 0.85 TDP1 (0.75) MAPTTDP1FFAR1ALDH1A1L3MBTL1
SCHEMBL7059127 0.85 PLAAT3 (0.61) MAPTNPC1RAB9ATDP1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230135100-A1 PROCESS OF PREPARING A PEPTIDE EPOXYKETONE IMMUNOPROTEASOME INHIBITOR, AND PRECURSORS THEREOF KEZAR LIFE SCIENCES, INC. 2023-05-04 US disclosed
US-10240175-B2 Compositions and methods for producing benzylisoquinoline alkaloids CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-03-26 US disclosed
US-10202626-B2 2019-02-12 US disclosed
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
CN-101267815-B metallo-beta-lactamase inhibitors MEIJI SEIKA PHARMA CO LTD 2013-11-06 CN disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 US disclosed
US-8093294-B2 Bacterial infections; effective for recovering the activities of beta-lactam antibiotics; 2-ethyl-3-methylmaleic acid dimethyl ester; maleic acid derivatives and/or dihydrofuranyl derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2012-01-10 US disclosed
CN-101267815-A metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA (JP) 2008-09-17 CN disclosed
EP-1941873-A1 METALLO-BETA-LACTAMASE INHIBITOR MEIJI SEIKA KAISHA LTD. (JP) 2008-07-09 EP disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 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-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA MAPT 2687/4885NPC1 2815/4885RAB9A 2261/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA MAPT 2687/4885NPC1 2815/4885RAB9A 2261/4885
US-20230135100-A1 PROCESS OF PREPARING A PEPTIDE EPOXYKETONE IMMUNOPROTEASOME INHIBITOR, AND PRECURSORS THEREOF PREP, PSMB2, PSME1 MAPT 1872/4885NPC1 2919/4885RAB9A 2048/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA MAPT 2972/4885NPC1 2708/4885RAB9A 2123/4885

“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.