SCHEMBL5221998

SCHEMBL5221998

CC(=O)NC[C@H]1CN(c2ccc(N3CC[S+]([O-])CC3)c(F)c2)C(=O)O1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.78
MAOB P27338 6/20 0.78
PTGS1 P23219 2/20 0.78
SDHA P31040 2/20 0.78
LMNA P02545 1/20 0.78
CALML3 P27482 1/20 0.78
F10 P00742 7/20 0.58

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
SCHEMBL6058550 1.00 MAOA (0.78) MAOAMAOBPTGS1SDHALMNA
SCHEMBL27596950 0.94 MAOA (0.72) MAOAMAOBPTGS1SDHALMNA
SCHEMBL18408751 0.94 MAOA (0.75) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7103707 0.94 MAOA (0.72) MAOAMAOBPTGS1SDHALMNA
SCHEMBL7103704 0.94 MAOA (0.72) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4165575 0.93 MAOA (0.68) MAOAMAOBPTGS1SDHALMNA
SCHEMBL4165577 0.93 MAOA (0.68) MAOAMAOBPTGS1SDHALMNA
SCHEMBL5220160 0.91 MAOB (0.65) MAOAMAOBPTGS1SDHALMNA
SCHEMBL24169975 0.91 MAOB (0.64) MAOAMAOBPTGS1SDHALMNA
SCHEMBL18410474 0.91 MAOB (0.64) 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1057087-C Substituted oxazine and thiazine oxazolidinone antimicrobials UPJOHN CO (US) 2000-10-04 CN claimed
EP-0717738-B1 SUBSTITUTED OXAZINE AND THIAZINE OXAZOLIDINONE ANTIMICROBIALS UPJOHN CO (US) 1999-10-20 EP claimed
CN-1130379-A Substituted oxazine and thiazine oxazolidinone antimicrobials UPJOHN CO (US) 1996-09-04 CN claimed
EP-3932917-A2 SUBSTITUTED PHENYLOXAZOLIDINONES FOR ANTIMICROBIAL THERAPY The Global Alliance for TB Drug Development, Inc. (US) 2022-01-05 EP disclosed
US-20200148651-A1 SUBSTITUTED PHENYLOXAZOLIDINONES FOR ANTIMICROBIAL THERAPY GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT INC (US) 2020-05-14 US disclosed
US-10550092-B2 Substituted phenyloxazolidinones for antimicrobial therapy THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2020-02-04 US disclosed
US-20180179168-A1 SUBSTITUTED PHENYLOXAZOLIDINONES FOR ANTIMICROBIAL THERAPY THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. 2018-06-28 US disclosed
WO-2017015106-A1 SUBSTITUTED PHENYLOXAZOLIDINONES FOR ANTIMICROBIAL THERAPY THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2017-01-26 WO disclosed
EP-1467992-B1 ANTIMICROBIAL DIHYDROTHIAZINE AND DIHYDROTHIOPYRAN OXAZOLIDINONES PHARMACIA & UPJOHN CO LLC (US) 2007-08-08 EP disclosed
US-7101874-B2 Antimicrobial dihydrothiazine and dihydrothiopyran oxazolidinones PHARMACIA AND UPJOHN COMPANY (US) 2006-09-05 US disclosed
CN-1221548-C Oxazolidinones having sulfoximine functionality and their use as antimicrobial agents UPJOHN CO (US) 2005-10-05 CN disclosed
EP-1467992-A1 ANTIMICROBIAL DIHYDROTHIAZINE AND DIHYDROTHIOPYRAN OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 2004-10-20 EP disclosed
US-20030232812-A1 Antimicrobial dihydrothiazine and dihydrothiopyran oxazolidinones PHARMACIA & UPJOHN COMPANY 2003-12-18 US disclosed
US-20030171331-A1 The present invention describes a novel cotherapy of oxazolidinones and at least one vitamin selected from vitamin B2, vitamin B6, vitamin B12 and folic acid. PHARMACIA & UPJOHN COMPANY 2003-09-11 US disclosed
WO-2003062231-A1 ANTIMICROBIAL DIHYDROTHIAZINE AND DIHYDROTHIOPYRAN OXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 2003-07-31 WO disclosed
CN-1391572-A Oxazolidinones having sulfoximine functionality and their use as antimicrobial agents UPJOHN CO (US) 2003-01-15 CN disclosed
US-20010046987-A1 Oxazolidinones having a sulfoximine functionality PHARMACIA & UPJOHN COMPANY 2001-11-29 US disclosed
CN-1057087-C Substituted oxazine and thiazine oxazolidinone antimicrobials UPJOHN CO (US) 2000-10-04 CN disclosed
EP-0717738-B1 SUBSTITUTED OXAZINE AND THIAZINE OXAZOLIDINONE ANTIMICROBIALS UPJOHN CO (US) 1999-10-20 EP disclosed
CN-1130379-A Substituted oxazine and thiazine oxazolidinone antimicrobials UPJOHN CO (US) 1996-09-04 CN 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-20180179168-A1 SUBSTITUTED PHENYLOXAZOLIDINONES FOR ANTIMICROBIAL THERAPY THPO, TBCD, OXA1L MAOA 2234/4885MAOB 1541/4885PTGS1 1413/4885
US-20030232812-A1 Antimicrobial dihydrothiazine and dihydrothiopyran oxazolidinones DHX35, ZYX, DHX15 MAOA 3803/4885MAOB 3725/4885PTGS1 2634/4885
US-20010046987-A1 Oxazolidinones having a sulfoximine functionality OXA1L, SULT1A1, SULT1E1 MAOA 923/4885MAOB 726/4885PTGS1 311/4885
US-20200148651-A1 SUBSTITUTED PHENYLOXAZOLIDINONES FOR ANTIMICROBIAL THERAPY THPO, TBCD, OXA1L MAOA 2234/4885MAOB 1541/4885PTGS1 1413/4885
US-10550092-B2 Substituted phenyloxazolidinones for antimicrobial therapy THPO, TBCD, OXA1L MAOA 2234/4885MAOB 1541/4885PTGS1 1413/4885
US-20030171331-A1 The present invention describes a novel cotherapy of oxazolidinones and at least one vitamin selected from vitamin B2, vitamin B6, vitamin B12 and folic acid. DHFR, MMAB, FOLR2 MAOA 252/4885MAOB 13/4885PTGS1 2165/4885

“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.