Sugi Predict

Sugi Predict / Compounds / SCHEMBL305379

SCHEMBL305379

SCHEMBL305379

O=C(CC1CCC2(CC1)OCCO2)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GLA P06280 1/20 0.44
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ C5AR1 P21730 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL4143101 0.83 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1GLACYP2C19
SCHEMBL20859043 0.82 CYP2C9 (0.44) ALDH1A1MAPK1L3MBTL1GLACYP2C9
SCHEMBL304993 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1GLACYP2C19
SCHEMBL6356359 0.81 ALDH1A1 (0.46) ALDH1A1CYP2C9CYP2C19SMN1; SMN2MAPT
SCHEMBL305021 0.80 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1GLASMN1; SMN2
SCHEMBL304920 0.79 NPC1 (0.55) ALDH1A1MAPK1L3MBTL1GLAKMT2A
SCHEMBL5264129 0.78 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1GAA
SCHEMBL16158130 0.78 ALDH1A1 (0.49) ALDH1A1CYP2C9CYP2C19SMN1; SMN2KMT2A
SCHEMBL15987294 0.78 C5AR1 (0.47) ALDH1A1CYP2C9CYP2C19C5AR1KMT2A
SCHEMBL306316 0.77 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1GLACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9115079-B2 NDM inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-08-25 — — US disclosed
US-20140221330-A1 NDM INHIBITOR MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-08-07 — — US disclosed
EP-2737900-A1 NDM INHIBITOR Meiji Seika Pharma Co., Ltd. (JP) 2014-06-04 — — EP disclosed
US-8470958-B1 Antibiotic-bound poly(caprolactone) polymer UNIVERSITY OF SOUTH FLORIDA (US) 2013-06-25 — — US disclosed
US-8470958-B1 Antibiotic-bound poly(caprolactone) polymer UNIVERSITY OF SOUTH FLORIDA (US) 2013-06-25 — — US disclosed
US-20130150550-A1 Antibiotic-Bound Poly(Caprolactone) Polymer UNIVERSITY OF SOUTH FLORIDA (US) 2013-06-13 — — US disclosed
US-20130150550-A1 Antibiotic-Bound Poly(Caprolactone) Polymer UNIVERSITY OF SOUTH FLORIDA (US) 2013-06-13 — — US disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 — — US disclosed
US-8110678-B2 Antibiotic-bound poly(caprolactone) polymer UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-07 — — US disclosed
US-8110678-B2 Antibiotic-bound poly(caprolactone) polymer UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-07 — — 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
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
US-20070265243-A1 Antibiotic-Bound Poly(Caprolactone) Polymer UNIVERSITY OF SOUTH FLORIDA (US) 2007-11-15 — — US disclosed
US-20070265243-A1 Antibiotic-Bound Poly(Caprolactone) Polymer UNIVERSITY OF SOUTH FLORIDA (US) 2007-11-15 — — 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 (6 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 ALDH1A1 372/4885MAPK1 2838/4885L3MBTL1 1177/4885
US-20070265243-A1 Antibiotic-Bound Poly(Caprolactone) Polymer CAPG, PGLS, GNE ALDH1A1 2039/4885MAPK1 4541/4885L3MBTL1 440/4885
US-20130150550-A1 Antibiotic-Bound Poly(Caprolactone) Polymer CAPG, PGLS, GNE ALDH1A1 2039/4885MAPK1 4541/4885L3MBTL1 440/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA ALDH1A1 372/4885MAPK1 2838/4885L3MBTL1 1177/4885
US-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 ALDH1A1 342/4885MAPK1 3995/4885L3MBTL1 1938/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ALDH1A1 461/4885MAPK1 2855/4885L3MBTL1 933/4885

“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.