SCHEMBL305178

SCHEMBL305178

CC(C)CN(CC(C)C)C(=O)OCCl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
MLYCD O95822 2/20 0.33
LMNA P02545 1/20 0.32
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
ALDH1A1 P00352 1/20 0.30
FPR1 P21462 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL12987377 0.81 CHRNB2 (0.36) CA12CA1CA2CA9CHRNB2
SCHEMBL6895788 0.80 CA12 (0.46) CA12CA1CA2CA9MLYCD
SCHEMBL10087929 0.80 CA12 (0.46) CA12CA1CA2CA9LMNA
SCHEMBL304755 0.79 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL304323 0.79 MEN1 (0.32) CA12CA1CA2CA9CHRNB2
SCHEMBL18856294 0.75 CA12 (0.42) CA12CA1CA2CA9MLYCD
SCHEMBL4332616 0.75 MEN1 (0.45) CA12CA1CA9LMNACHRNB2
SCHEMBL306031 0.75 CA12 (0.50) CA12CA1CA2CA9MLYCD
SCHEMBL19359952 0.74 MAPT (0.41) CA12CA1CA2CA9MLYCD
SCHEMBL306030 0.73 CA1 (0.48) CA12CA1CA2CA9MLYCD

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 43 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
CN-103607888-A Substituted methyl formyl reagents and methods of using the same to improve physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PRIVATE LTD 2014-02-26 CN 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
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
EP-2903979-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS INC (US) 2020-08-19 EP disclosed
US-20200046699-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES INHIBIKASE THERAPEUTICS, INC. 2020-02-13 US disclosed
EP-3532066-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES Inhibikase Therapeutics, Inc. (US) 2019-09-04 EP 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
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 (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 CA12 909/4885CA1 727/4885CA2 313/4885
US-20140121367-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS TPMT, BHMT2, PFAS CA12 1866/4885CA1 2718/4885CA2 3448/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM CA12 799/4885CA1 3160/4885CA2 1641/4885
US-12629371-B2 Compositions and methods for inhibiting kinases PTK2, HCK, PTK2B CA12 2071/4885CA1 1694/4885CA2 446/4885
US-20140100225-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES POLI, MCL1, HRAS CA12 2680/4885CA1 4406/4885CA2 4709/4885
US-20200046699-A1 COMPOSITIONS AND METHODS FOR INHIBITING KINASES ABL1, FYN, PTK2 CA12 4309/4885CA1 2927/4885CA2 2347/4885

“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.