SCHEMBL304324

SCHEMBL304324

CC(C)N(C(=O)OCCl)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.33
POLB P06746 1/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
BCHE P06276 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL12987773 0.80 CHRNB2 (0.33) CHRNB2CHRNA4
SCHEMBL16965814 0.80 CHRNB2 (0.43) PKMPOLBCHRNB2CHRNA4CHRM2
SCHEMBL12987849 0.79 CHRNB2 (0.35) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL304328 0.78 ALDH1A1 (0.43) PKMPOLBALDH1A1GAAMEN1
SCHEMBL25473397 0.76 PKM (0.42) PKMPOLBCHRNB2CHRNA4ALDH1A1
SCHEMBL16965714 0.76 CHRNB2 (0.41) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL12988859 0.76 TSHR (0.45) CHRNB2CHRNA4ALDH1A1GAATSHR
SCHEMBL7879254 0.76 CHRNB2 (0.32) CHRNB2CHRNA4ALDH1A1BCHE
SCHEMBL12987517 0.76 ALDH1A1 (0.30) POLBALDH1A1
SCHEMBL12988105 0.76

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
EP-2903979-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS INC (US) 2020-08-19 EP claimed
US-9487500-B2 Compounds and compositions thereof INHIBIKASE THERAPEUTICS, INC. (US) 2016-11-08 US claimed
US-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 US claimed
EP-2903979-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES Inhibikase Therapeutics, Inc. (US) 2015-08-12 EP claimed
US-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS PIVOT HOLDING LLC 2014-05-01 US claimed
US-20140100225-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS, INC. (US) 2014-04-10 US claimed
WO-2014055938-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS, INC. (US) 2014-04-10 WO claimed
EP-2693876-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS Sphaera Pharma Pte. Ltd (SG) 2014-02-12 EP claimed
WO-2012137225-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-10-11 WO claimed
US-12629371-B2 Compositions and methods for inhibiting kinases INHIBIKASE THERAPEUTICS, INC. (US) 2026-05-19 US disclosed
US-20240122179-A1 AUXINIC HERBICIDES AND METHODS OF USE THEREOF CORTEVA AGRISCIENCE LLC (US) 2024-04-18 US disclosed
CN-117813004-A Auxin herbicide and application method thereof 科迪华农业科技有限责任公司 2024-04-02 CN disclosed
CN-109608436-B Substituted methyl formyl reagents and methods of using same to improve physicochemical and/or pharmacokinetic properties of compounds 斯法尔制药私人有限公司 2022-10-11 CN disclosed
WO-2022170075-A1 AUXINIC HERBICIDES AND METHODS OF USE THEREOF CORTEVA AGRISCIENCE LLC (US) 2022-08-11 WO disclosed
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MARUYAMA TAKAHISA 2010-06-10 US disclosed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20240122179-A1 AUXINIC HERBICIDES AND METHODS OF USE THEREOF DDT, HACL2, ALAD PKM 2539/4885POLB 2854/4885CHRNB2 4178/4885
US-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA PKM 2106/4885POLB 385/4885CHRNB2 4326/4885
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MTAP, BLVRB, TPMT PKM 1825/4885POLB 2735/4885CHRNB2 3748/4885
US-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS TPMT, BHMT2, PFAS PKM 1373/4885POLB 2326/4885CHRNB2 4491/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM PKM 2870/4885POLB 2365/4885CHRNB2 3402/4885
US-12629371-B2 Compositions and methods for inhibiting kinases PTK2, HCK, PTK2B PKM 1819/4885POLB 3946/4885CHRNB2 127/4885
US-20140100225-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES POLI, MCL1, HRAS PKM 3313/4885POLB 72/4885CHRNB2 4868/4885

“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.