Sugi Predict

Sugi Predict / Compounds / SCHEMBL306311

SCHEMBL306311

SCHEMBL306311

CC(C)C(=O)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ TDP1 Q9NUW8 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ TSHR P16473 1/20 0.49
▸ LMNA P02545 3/20 0.47
▸ HCAR2 Q8TDS4 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ CTSK P43235 2/20 0.44
▸ SLC15A1 P46059 1/20 0.44

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
SCHEMBL29772314 0.86 ALDH1A1 (0.55) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL19757656 0.84 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL7636035 0.84 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL7634808 0.84 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL7635472 0.84 ALDH1A1 (0.53) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL23542517 0.84 ALDH1A1 (0.56) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL19500127 0.84 ALDH1A1 (0.56) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL11201138 0.83 MMP1 (0.53) TDP1L3MBTL1LMNAATM
SCHEMBL21374159 0.83 ALDH1A1 (0.51) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2
SCHEMBL29387237 0.83 SLC15A1 (0.57) ALDH1A1TDP1L3MBTL1MAPK1SLC6A2

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 21 patents — showing the first 20. 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
CN-102964239-B metal-beta-lactamase inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-01-20 — — CN disclosed
CN-101267815-B metallo-beta-lactamase inhibitors MEIJI SEIKA PHARMA CO LTD 2013-11-06 — — CN disclosed
EP-2609067-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER Sumitomo Chemical Co., Ltd (JP) 2013-07-03 — — EP disclosed
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-06-13 — — US disclosed
CN-103080064-A Process for producing carboxylic acid ester SUMITOMO CHEMICAL CO 2013-05-01 — — CN disclosed
CN-102964239-A Metallo-beta-lactamase inhibitor MEIJI SEIKA KAISHA 2013-03-13 — — CN disclosed
WO-2012176930-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-27 — — WO 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
US-7250444-B2 Pyrrole-based HMG-CoA reductase inhibitors PFIZER INC. (US) 2007-07-31 — — US disclosed
US-7250444-B2 Pyrrole-based HMG-CoA reductase inhibitors PFIZER INC. (US) 2007-07-31 — — US disclosed
EP-1740549-A2 NOVEL IMIDAZOLES Warner-Lambert Company LLC (US) 2007-01-10 — — EP disclosed
US-20060287378-A1 Novel pyrroles and imidazoles WARNER-LAMBERT COMPANY LLC 2006-12-21 — — US disclosed
WO-2005105079-A2 NOVEL IMIDAZOLES WARNER-LAMBERT COMPANY LLC (US) 2005-11-10 — — WO disclosed
US-20050239857-A1 Novel imidazoles BOLTON GARY L 2005-10-27 — — 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 372/4885TDP1 2860/4885L3MBTL1 1177/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA ALDH1A1 372/4885TDP1 2860/4885L3MBTL1 1177/4885
US-20060287378-A1 Novel pyrroles and imidazoles PPIP5K2, PPIE, PPOX ALDH1A1 2496/4885TDP1 378/4885L3MBTL1 4821/4885
US-20130150611-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER ADH5, ADH1A, ADH1C ALDH1A1 33/4885TDP1 4303/4885L3MBTL1 2107/4885
US-20050239857-A1 Novel imidazoles HMGCR, HMGB2, HMGB3 ALDH1A1 560/4885TDP1 1105/4885L3MBTL1 4624/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ALDH1A1 461/4885TDP1 3098/4885L3MBTL1 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.