SCHEMBL6164310

SCHEMBL6164310

CC(=O)NC[C@H]1CN(c2ccc([C@H]3CC[S@@+]([O-])CC3)c(F)c2)C(=O)O1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.60
MAOB P27338 3/20 0.60
PTGS1 P23219 2/20 0.60
SDHA P31040 2/20 0.60
LMNA P02545 1/20 0.60
CALML3 P27482 1/20 0.60
F10 P00742 3/20 0.47

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
SCHEMBL6164776 1.00 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6164308 1.00 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL1176221 1.00 MAOA (0.60) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6040265 0.92 MAOA (0.52) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6040262 0.92 MAOA (0.52) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6040393 0.92 MAOA (0.52) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8168992 0.91 MAOB (0.50) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8169547 0.91 MAOB (0.50) MAOAMAOBPTGS1SDHALMNA
SCHEMBL6966649 0.91 MAOB (0.50) MAOAMAOBPTGS1SDHALMNA
SCHEMBL8168995 0.91 MAOB (0.50) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6083967-A ANTIMICROBIAL AGENTS; ASSAY FOR DETERMINING THE INHIBITORY ACTIVITY OF OXAZOLIDINONES TO HUMAN MONOAMINE OXIDASE PHARMACIA & UPJOHN COMPANY (US) 2000-07-04 US claimed
EP-0984947-B1 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY UPJOHN CO (US) 2005-04-20 EP disclosed
US-6537986-B2 With thiourea, thioamide, or dithiocarbamate functionality; (S)-N-(((3-(3-fluoro-4-morpholinyl)phenyl)-2-oxo-5 -oxazolidinyl)methyl)thioacetamide for example; treats multiple-resistant staphylococci PHARMACIA & UPJOHN COMPANY 2003-03-25 US disclosed
US-6362189-B1 GRAMNEGATIVE, GRAMPOSITIVE BACTERIA PHARMACIA AND UPJOHN COMPANY 2002-03-26 US disclosed
US-20020016323-A1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality PHARMACIA & UPJOHN COMPANY 2002-02-07 US disclosed
US-6342513-B1 THIOCARBONYLAMIDES ON OXAZO-, ISOOXAZOLE OR FURANONE RINGS FOR USE AS BACTERICIDES PHARMACIA AND UPJOHN COMPANY 2002-01-29 US disclosed
US-20010046987-A1 Oxazolidinones having a sulfoximine functionality PHARMACIA & UPJOHN COMPANY 2001-11-29 US disclosed
US-20010041728-A1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality HESTER JACKSON B (US) 2001-11-15 US disclosed
US-6255304-B1 AIDS THERAPY PHARMACIA & UPJOHN COMPANY 2001-07-03 US disclosed
US-6218413-B1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality PHARMACIA & UPJOHN COMPANY 2001-04-17 US disclosed
US-6083967-A ANTIMICROBIAL AGENTS; ASSAY FOR DETERMINING THE INHIBITORY ACTIVITY OF OXAZOLIDINONES TO HUMAN MONOAMINE OXIDASE PHARMACIA & UPJOHN COMPANY (US) 2000-07-04 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 (3 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-20010041728-A1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality OXA1L, MRPL21, TOP1 MAOA 3306/4885MAOB 2998/4885PTGS1 436/4885
US-20020016323-A1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality OXA1L, MRPL21, TOP1 MAOA 3306/4885MAOB 2998/4885PTGS1 436/4885
US-20010046987-A1 Oxazolidinones having a sulfoximine functionality OXA1L, SULT1A1, SULT1E1 MAOA 923/4885MAOB 726/4885PTGS1 311/4885

“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.