SCHEMBL6162646

SCHEMBL6162646

O=C1O[C@H](CN=C=S)CN1c1ccc([C@H]2CC[S@+]([O-])CC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.46
CALML3 P27482 7/20 0.40
MAOB P27338 8/20 0.38
GRM2 Q14416 1/20 0.36
LMNA P02545 1/20 0.36
PTGS1 P23219 1/20 0.36
SDHA P31040 1/20 0.36
F10 P00742 1/20 0.35
KCNH2 Q12809 2/20 0.35

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
SCHEMBL6160497 1.00 MAOA (0.46) MAOACALML3MAOBGRM2LMNA
SCHEMBL6160493 1.00 MAOA (0.46) MAOACALML3MAOBGRM2LMNA
SCHEMBL13939889 0.86 MAOA (0.45) MAOACALML3MAOBGRM2LMNA
SCHEMBL6164134 0.85 MAOA (0.46) MAOACALML3MAOBF10
SCHEMBL6161767 0.85 MAOA (0.52) MAOACALML3MAOBGRM2LMNA
SCHEMBL6164483 0.85 MAOA (0.52) MAOACALML3MAOBGRM2LMNA
SCHEMBL6961483 0.85 MAOA (0.52) MAOACALML3MAOBGRM2LMNA
SCHEMBL7928594 0.85 CALML3 (0.55) MAOACALML3MAOBLMNAPTGS1
SCHEMBL5889283 0.85 MAOA (0.52) MAOACALML3MAOBGRM2LMNA
SCHEMBL6164136 0.85 MAOA (0.50) MAOACALML3MAOBGRM2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984947-B1 OXAZOLIDINONE ANTIBACTERIAL AGENTS HAVING A THIOCARBONYL FUNCTIONALITY UPJOHN CO (US) 2005-04-20 EP disclosed
EP-1274426-B1 USE OF THIOAMIDE OXAZOLIDINONES FOR THE TREATMENT OF BONE RESORPTION AND OSTEOPOROSIS UPJOHN CO (US) 2004-04-14 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-20020010341-A1 Use of thioamide oxazolidinones for the treatment of bone resorption and osteoporosis PHARMACIA & UPJOHN COMPANY 2002-01-24 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

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 3306/4885CALML3 4735/4885MAOB 2998/4885
US-20020016323-A1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality OXA1L, MRPL21, TOP1 MAOA 3306/4885CALML3 4735/4885MAOB 2998/4885
US-20020010341-A1 Use of thioamide oxazolidinones for the treatment of bone resorption and osteoporosis PTH1R, SOST, TST MAOA 2368/4885CALML3 2305/4885MAOB 2687/4885

“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.