SCHEMBL6161576

SCHEMBL6161576

NCC1CN(c2ccc(C3CCS(O)(O)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.57
CALML3 P27482 7/20 0.46
F10 P00742 2/20 0.44
MAOB P27338 5/20 0.41
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
SDHA P31040 1/20 0.41

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
SCHEMBL6161567 1.00 MAOA (0.57) MAOACALML3F10MAOBLMNA
SCHEMBL6210778 0.90 CALML3 (0.56) MAOACALML3MAOBLMNAPTGS1
SCHEMBL6210772 0.90 CALML3 (0.56) MAOACALML3MAOBLMNAPTGS1
SCHEMBL4014717 0.90 MAOA (0.53) MAOACALML3F10MAOB
SCHEMBL6306753 0.88 MAOA (0.51) MAOACALML3F10MAOB
SCHEMBL5739005 0.87 MAOA (0.56) MAOACALML3F10MAOBLMNA
SCHEMBL7157306 0.85 MAOA (0.56) MAOACALML3F10MAOBLMNA
SCHEMBL7157309 0.85 MAOA (0.56) MAOACALML3F10MAOBLMNA
SCHEMBL6164131 0.85 MAOA (0.50) MAOACALML3F10MAOBLMNA
SCHEMBL6164136 0.85 MAOA (0.50) MAOACALML3F10MAOBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984947-B8 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY PHARMACIA & UPJOHN CO LLC (US) 2005-06-15 EP disclosed
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
EP-1254906-A1 Tetrahydrothiopyran phenyloxazolidinone S,S-dioxides PHARMACIA & UPJOHN COMPANY (US) 2002-11-06 EP 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-20010041728-A1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality HESTER JACKSON B (US) 2001-11-15 US disclosed
US-6265178-B1 Assay for determining oxazolidinone antibiotics having minimum monoamine oxidase inhibitory activity PHARMACIA & UPJOHN COMPANY 2001-07-24 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
EP-1036074-A1 S-OXIDE AND S,S-DIOXIDE TETRAHYDROTHIOPYRAN PHENYLOXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 2000-09-20 EP disclosed
EP-0984947-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY PHARMACIA & UPJOHN COMPANY (US) 2000-03-15 EP disclosed
WO-1999029688-A1 S-OXIDE AND S,S-DIOXIDE TETRAHYDROTHIOPYRAN PHENYLOXAZOLIDINONES PHARMACIA & UPJOHN COMPANY (US) 1999-06-17 WO disclosed
WO-1998054161-A9 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY UPJOHN CO (US) 1999-04-08 WO disclosed
WO-1998054161-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY PHARMACIA & UPJOHN COMPANY (US) 1998-12-03 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 (2 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 3306/4885CALML3 4735/4885F10 3383/4885
US-20020016323-A1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality OXA1L, MRPL21, TOP1 MAOA 3306/4885CALML3 4735/4885F10 3383/4885

“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.