SCHEMBL6616017

SCHEMBL6616017

CC(=O)NC[C@H]1CN(c2cc(F)c(N3CCN(C(=O)CO)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.58
MAOB P27338 4/20 0.58
PTGS1 P23219 2/20 0.58
SDHA P31040 2/20 0.58
LMNA P02545 1/20 0.58
CALML3 P27482 1/20 0.58
F10 P00742 1/20 0.57
TOP2B Q02880 1/20 0.46

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
SCHEMBL6616021 1.00 MAOA (0.58) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6040390 0.92 F10 (0.57) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6040400 0.92 F10 (0.57) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7490047 0.92 MAOA (0.55) MAOAMAOBPTGS1SDHALMNA
SCHEMBL2499361 0.91 MAOA (0.57) MAOAMAOBPTGS1SDHALMNA
SCHEMBL2499360 0.91 MAOA (0.57) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7486089 0.90 MAOA (0.56) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6615779 0.90 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6615782 0.90 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8304508 0.89 MAOA (0.59) MAOAMAOBPTGS1SDHALMNA

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019385-B1 AMINOARYL OXAZOLIDINONE N-OXIDES UPJOHN CO (US) 2004-01-14 EP claimed
EP-1019385-B1 AMINOARYL OXAZOLIDINONE N-OXIDES UPJOHN CO (US) 2004-01-14 EP disclosed
US-6525193-B2 Bactericides PHARMACIA & UPJOHN COMPANY 2003-02-25 US disclosed
US-6518427-B1 Compounds are exceedingly water soluble which is useful in preparing pharmaceutical formulations of these compounds. They are also rapidly converted back to the parent amines in vivo, making them useful as prodrugs of the parent amines. PHARMACIA & UPJOHN COMPANY 2003-02-11 US disclosed
US-6515135-B2 Exceedingly water soluble; rapidly converted back to the parent amines in vivo, making them useful as prodrugs of the parent amines. PHARMACIA & UPJOHN COMPANY 2003-02-04 US disclosed
US-6512112-B2 Useful as prodrugs, easily convert to parent amine in vivo; antibiotic activity versus gram negative aerobic and anaerobic bacteria PHARMACIA & UPJOHN COMPANY 2003-01-28 US disclosed
US-20020177707-A1 AMINOARYL OXAZOLIDINONE N-OXIDES GADWOOD ROBERT C (US) 2002-11-28 US disclosed
US-20020120152-A1 Aminoaryl oxazolidinone N-oxides GADWOOD ROBERT C (US) 2002-08-29 US disclosed
US-6441188-B1 SUCH AS (S)-N-((3-(3-FLUORO-4-(1,1-DIOXOTHIAZOLIDIN-3-YL) PHENYL)-2-OXO-5-OXAZOLIDINYL)METHYL)ACETAMIDE N-OXIDE FOR TREATMENT OF MICROBIAL INFECTIONS PHARMACIA & UPJOHN COMPANY 2002-08-27 US disclosed
US-20020107402-A1 Aminoaryl oxazolidinone N-oxides GADWOOD ROBERT C (US) 2002-08-08 US disclosed
US-20010051722-A1 Useful as prodrugs, easily convert to parent amine in vivo; antibiotic activity versus gram negative aerobic and anaerobic bacteria GADWOOD ROBERT C (US) 2001-12-13 US disclosed
US-6277985-B1 AS ANTIBIOTICS; WATER SOLUBILITY; IN PRODRUGS PHARMACIA & UPJOHN COMPANY 2001-08-21 US disclosed
EP-1019385-A1 AMINOARYL OXAZOLIDINONE N-OXIDES PHARMACIA & UPJOHN COMPANY (US) 2000-07-19 EP disclosed
EP-0730591-B1 ESTERS OF SUBSTITUTED-HYDROXYACETYL PIPERAZINE PHENYL OXAZOLIDINONES UPJOHN CO (US) 1999-07-14 EP disclosed
US-5652238-A WATER SOLUBILITY; ANTIMICROBIAL AGENTS EFFECTIVE AGAINST RESISTANT STAPHYLOCOCCI, ENTEROCOCCI, AND STREPTOCOCCI PHARMACIA & UPJOHN COMPANY (US) 1997-07-29 US disclosed
WO-1997010223-A1 AMINOARYL OXAZOLIDINONE N-OXIDES PHARMACIA & UPJOHN COMPANY (US) 1997-03-20 WO disclosed
EP-0730591-A1 ESTERS OF SUBSTITUTED-HYDROXYACETYL PIPERAZINE PHENYL OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 1996-09-11 EP disclosed
WO-1995014684-A1 ESTERS OF SUBSTITUTED-HYDROXYACETYL PIPERAZINE PHENYL OXAZOLIDINONES THE UPJOHN COMPANY (US) 1995-06-01 WO 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 (4 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-20010051722-A1 Useful as prodrugs, easily convert to parent amine in vivo; antibiotic activity versus gram negative aerobic and anaerobic bacteria AMD1, CYP11B1, ALDH7A1 MAOA 289/4885MAOB 180/4885PTGS1 2076/4885
US-20020107402-A1 Aminoaryl oxazolidinone N-oxides CYP11B1, ABAT, MSMO1 MAOA 331/4885MAOB 190/4885PTGS1 2067/4885
US-20020120152-A1 Aminoaryl oxazolidinone N-oxides CYP11B1, ABAT, MSMO1 MAOA 331/4885MAOB 190/4885PTGS1 2067/4885
US-20020177707-A1 AMINOARYL OXAZOLIDINONE N-OXIDES CYP11B1, ABAT, MSMO1 MAOA 331/4885MAOB 190/4885PTGS1 2067/4885

“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.