SCHEMBL304328

SCHEMBL304328

CCOC(=O)N(C(C)C)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SOAT1 P35610 1/20 0.40
TRPA1 O75762 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL28679035 0.87 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28679034 0.87 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28684566 0.83 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL11744798 0.83 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL25473397 0.83 PKM (0.42) ALDH1A1GAAPOLBL3MBTL1MAPT
SCHEMBL16965814 0.82 CHRNB2 (0.43) ALDH1A1POLBPKMBCHE
SCHEMBL28481794 0.82 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28490858 0.82 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL11237849 0.81 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL2539677 0.81 CHRNB2 (0.39) ALDH1A1LMNAHSD17B10

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US claimed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP claimed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US claimed
CN-109425666-B LC-MS analysis method of acyl chloride derivative 广东东阳光药业有限公司 2022-07-08 CN disclosed
EP-3070777-B1 ELECTROLYTE SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, AND MODULE DAIKIN IND LTD (JP) 2018-04-04 EP disclosed
US-9776982-B2 Treprostinil derivative compounds and methods of using same Corsair Pharma, Inc. (US) 2017-10-03 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
EP-2415875-B1 METHOD FOR IDENTIFICATION OF METALLO-[BETA]-LACTAMASE-PRODUCING BACTERIUM MEIJI SEIKA PHARMA CO LTD (JP) 2015-11-04 EP disclosed
EP-2898012-A1 OXYGEN SCAVENGING PLASTIC MATERIAL Clariant Finance (BVI) Limited (VG) 2015-07-29 EP disclosed
US-8697382-B2 Method of identifying metallo-β-lactamase-producing bacteria MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-04-15 US disclosed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP disclosed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 EP disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
US-4537961-A Catalytic cyclotrimerization of polyisocyanates RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-08-27 US disclosed
EP-0089297-B1 PROCESS FOR THE PREPARATION OF POLYISOCYANURATE POLYISOCYANATES BY CATALYTIC CYCLOTRIMERIZATION OF POLYISOCYANATES RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-06-12 EP 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-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM ALDH1A1 1182/4885LMNA 899/4885HSD17B10 554/4885
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 ALDH1A1 3756/4885LMNA 3909/4885HSD17B10 836/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ALDH1A1 461/4885LMNA 1157/4885HSD17B10 389/4885

“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.