SCHEMBL6161441

SCHEMBL6161441

NC(=S)NC[C@H]1CN(c2ccc(C3CCS(=O)(=O)CC3)c(F)c2)C(=O)O1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.53
F10 P00742 8/20 0.50
MAOB P27338 5/20 0.47
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
CALML3 P27482 1/20 0.47
SDHA P31040 1/20 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
SCHEMBL7157306 0.93 MAOA (0.56) MAOAF10MAOBLMNAPTGS1
SCHEMBL7157309 0.93 MAOA (0.56) MAOAF10MAOBLMNAPTGS1
SCHEMBL6040232 0.91 MAOA (0.54) MAOAF10MAOBLMNAPTGS1
SCHEMBL6310601 0.89 F10 (0.49) MAOAF10MAOBLMNAPTGS1
SCHEMBL5738893 0.89 MAOA (0.54) MAOAF10MAOBLMNAPTGS1
SCHEMBL7710552 0.88 MAOA (0.53) MAOAF10MAOBLMNAPTGS1
SCHEMBL5209849 0.88 MAOA (0.64) MAOAF10MAOBLMNAPTGS1
SCHEMBL6160751 0.86 MAOA (0.52) MAOAF10MAOBLMNAPTGS1
SCHEMBL6162913 0.86 MAOA (0.52) MAOAF10MAOBLMNAPTGS1
SCHEMBL6160752 0.86 MAOA (0.52) MAOAF10MAOBLMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218413-B1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality PHARMACIA & UPJOHN COMPANY 2001-04-17 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20020016323-A1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality OXA1L, MRPL21, TOP1 MAOA 3306/4885F10 3383/4885MAOB 2998/4885

“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.