SCHEMBL6545644

SCHEMBL6545644

CC[N+]1(CC(=O)O)CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.32
USP2 O75604 1/20 0.31
PABPC1 P11940 1/20 0.31
CTDSP1 Q9GZU7 3/20 0.31
FFAR3 O14843 1/20 0.31
AGTR1 P30556 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2D6 P10635 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL19368009 0.83 ALDH1A1 (0.31) CYP1A2CYP2C9ALDH1A1MEN1KMT2A
SCHEMBL8370925 0.82 MEN1 (0.31) CYP1A2CYP2C9ALDH1A1MEN1KMT2A
SCHEMBL21821300 0.81 TSHR (0.42) CYP1A2ALDH1A1KMT2ACTDSP1SMN1; SMN2
Bromide SCHEMBL17338086 0.80 SMN1; SMN2 (0.43) CYP1A2ALDH1A1KMT2ACTDSP1SMN1; SMN2
SCHEMBL13865792 0.78 GPR84 (0.38) ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL575287 0.77 CHRNA7 (0.37) CTDSP1
Iodide SCHEMBL9011443 0.74 CTDSP1 (0.36) CTDSP1
Bromide SCHEMBL19439575 0.74 CHRNA7 (0.35) CTDSP1SMN1; SMN2
SCHEMBL439766 0.74 PABPC1 (0.46) CYP1A2CYP2C9ALDH1A1KMT2AHSD17B10
SCHEMBL7057188 0.73 KMT2A (0.34) CYP1A2CYP2C9ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11911399-B2 Treating and preventing disease with TMA and TMAO lowering agents THE CLEVELAND CLINIC FOUNDATION (US) 2024-02-27 US disclosed
US-11771659-B2 Treating disease and promoting weight loss by inhibiting the TMA/FMO3/TMAO pathway THE CLEVELAND CLINIC FOUNDATION (US) 2023-10-03 US disclosed
US-20170266208-A1 TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS THE CLEVELAND CLINIC FOUNDATION 2017-09-21 US disclosed
US-9694020-B2 Treating and preventing disease with TMA and TMAO lowering agents THE CLEVELAND CLINIC FOUNDATION (US) 2017-07-04 US disclosed
US-20160089387-A1 TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS THE CLEVELAND CLINIC FOUNDATION 2016-03-31 US disclosed
US-8921515-B2 Methods and compositions of preparation for proteome analysis CASE WESTERN RESERVE UNIVERSITY (US) 2014-12-30 US disclosed
US-20130172539-A1 METHODS AND COMPOSITIONS OF PREPARATION FOR PROTEOME ANALYSIS CASE WESTERN RESERVE UNIVERSITY (US) 2013-07-04 US disclosed
US-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes THERAVANCE BIOPHARMA R&D IP, LLC 2004-02-05 US disclosed
EP-0816381-B1 POLYETHYLENE GLYCOL MODIFIED HEPATOCYTE GROWTH FACTOR (HGF) NAKAMURA TOSHIKAZU (JP) 2004-01-14 EP disclosed
US-6380356-B1 DIMERS WITH GIVEN LINKING GROUPS; USE AGAINST GRAM-NEGATIVE BACTERIAL INFECTIONS ADVANCED MEDICINE, INC. 2002-04-30 US disclosed
EP-0473084-B1 Polyethylene glycol derivatives, their modified peptides, methods for producing them and use of the modified peptides SUMITOMO PHARMA (JP) 1995-11-15 EP disclosed
EP-0333587-B1 METHOD FOR PURIFYING AND ISOLATING CARBOXYL-TERMINAL PEPTIDES MITSUBISHI KASEI CORPORATION (JP) 1993-06-09 EP disclosed
US-5214131-A Polyethylene glycol derivatives, modified peptides and production thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1993-05-25 US disclosed
US-5183660-A Drugs having decreased antigenicity, delayed biological clearance and exhibit physiological activity over a long period SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1993-02-02 US disclosed
US-5104973-A Cleaving peptide bond between lysine residue and adjacent amino acid residue, reacting peptide mixture with solid carrier MITSUBISHI KASEI CORPORATION (JP) 1992-04-14 US disclosed
EP-0473084-A2 Polyethylene glycol derivatives, their modified peptides, methods for producing them and use of the modified peptides SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-03-04 EP disclosed
US-5093531-A POLYETHYLENE GLYCOL SUBSTITUTED PHENYL GLYOXALS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-03-03 US disclosed
EP-0400486-A2 Polyethylene glycol derivatives, modified peptides and production thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-12-05 EP disclosed
EP-0340741-A2 Polyethylene glycol derivatives, modified peptides and production thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1989-11-08 EP disclosed
EP-0333587-A2 Method for purifying and isolating carboxyl-terminal peptides MITSUBISHI KASEI CORPORATION (JP) 1989-09-20 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 (5 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-11771659-B2 Treating disease and promoting weight loss by inhibiting the TMA/FMO3/TMAO pathway SLC5A2, SLC5A1, MAT1A CYP1A2 2032/4885CYP2C9 2491/4885ALDH1A1 1973/4885
US-11911399-B2 Treating and preventing disease with TMA and TMAO lowering agents MAOB, DAO, ESD CYP1A2 417/4885CYP2C9 349/4885ALDH1A1 239/4885
US-20160089387-A1 TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS MAOB, DAO, ESD CYP1A2 417/4885CYP2C9 349/4885ALDH1A1 239/4885
US-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes RNASE1, ENGASE, ENTPD5 CYP1A2 2493/4885CYP2C9 3251/4885ALDH1A1 1021/4885
US-20170266208-A1 TREATING AND PREVENTING DISEASE WITH TMA AND TMAO LOWERING AGENTS MAOB, DAO, ESD CYP1A2 417/4885CYP2C9 349/4885ALDH1A1 239/4885

“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.