SCHEMBL6040338

SCHEMBL6040338

CC(=S)NC[C@H]1CN(c2ccc(N3CCCSCC3)cc2)C(=O)O1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.60
MAOB P27338 2/20 0.60
F10 P00742 18/20 0.55
LMNA P02545 1/20 0.48
PTGS1 P23219 1/20 0.48
CALML3 P27482 1/20 0.48
SDHA P31040 1/20 0.48
ITGB3 P05106 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
ITGA2B P08514 2/20 0.47
PRSS3 P35030 2/20 0.47
F2 P00734 2/20 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
SCHEMBL6040345 1.00 MAOA (0.60) MAOAMAOBF10LMNAPTGS1
SCHEMBL7156723 0.96 MAOA (0.64) MAOAMAOBF10LMNAPTGS1
SCHEMBL7156712 0.96 MAOA (0.64) MAOAMAOBF10LMNAPTGS1
SCHEMBL7161508 0.90 F10 (0.53) MAOAMAOBF10LMNAPTGS1
Thiomorpholine SCHEMBL7953648 0.90 MAOA (0.58) MAOAMAOBF10LMNAPTGS1
SCHEMBL7161503 0.90 MAOA (0.55) MAOAMAOBF10LMNAPTGS1
SCHEMBL7161497 0.90 MAOA (0.55) MAOAMAOBF10LMNAPTGS1
SCHEMBL7159364 0.90 F10 (0.53) MAOAMAOBF10LMNAPTGS1
SCHEMBL7159365 0.90 F10 (0.53) MAOAMAOBF10LMNAPTGS1
SCHEMBL7161514 0.90 F10 (0.53) MAOAMAOBF10LMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20020016323-A1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality PHARMACIA & UPJOHN COMPANY 2002-02-07 US claimed
US-20010041728-A1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality HESTER JACKSON B (US) 2001-11-15 US claimed
US-7049443-B2 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound PHARMACIA & UPJOHN COMPANY (US) 2006-05-23 US disclosed
US-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound PHARMACIA & UPJOHN COMPANY 2004-01-22 US 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-20010041728-A1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality HESTER JACKSON B (US) 2001-11-15 US disclosed
EP-1133493-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY PHARMACIA & UPJOHN COMPANY (US) 2001-09-19 EP disclosed
US-6255304-B1 AIDS THERAPY PHARMACIA & UPJOHN COMPANY 2001-07-03 US disclosed
WO-2000032599-A1 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY PHARMACIA & UPJOHN COMPANY (US) 2000-06-08 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 (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 2998/4885F10 3383/4885
US-20020016323-A1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality OXA1L, MRPL21, TOP1 MAOA 3306/4885MAOB 2998/4885F10 3383/4885
US-20040014967-A1 Amide-containing compound having improved solubility and method of improving the solubility of an amide-containing compound AADAC, AAAS, SLC7A1 MAOA 1179/4885MAOB 732/4885F10 2380/4885

“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.