SCHEMBL6174489

SCHEMBL6174489

O=c1ccccn1C(=S)C(=S)C(=S)C(=S)C(=S)n1ccccc1=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ESR1 P03372 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MMP3 P08254 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
PTGS1 P23219 1/20 0.31
LOX P28300 1/20 0.31
ADRA1A P35348 1/20 0.31
RAB9A P51151 1/20 0.31
GFER P55789 1/20 0.31
LOXL3 P58215 1/20 0.31
LOXL4 Q96JB6 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL558876 0.80 ESR1 (0.34) POLBNPSR1ESR1HSP90AA1MMP3
SCHEMBL9711587 0.73 POLB (0.33) POLBNPSR1ESR1HSP90AA1MMP3
SCHEMBL620180 0.73 TSHR (0.37) POLBNPSR1RAB9ATSHR
SCHEMBL8698153 0.73 TSHR (0.37) POLBNPSR1RAB9ATSHR
SCHEMBL2703082 0.71 MAPT (0.38) NPSR1RAB9ATSHR
SCHEMBL8677952 0.70 NOTUM (0.48) POLBTSHR
SCHEMBL1505859 0.70 BCHE (0.39) POLBNPSR1TSHR
SCHEMBL27500883 0.70 POLB (0.36) POLBNPSR1TSHR
SCHEMBL23732646 0.68 PSMB1 (0.36) POLBNPSR1PTGS1RAB9ATSHR
SCHEMBL12634297 0.65 TSHR (0.33) POLBNPSR1TSHR

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 5 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
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-20010041728-A1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality HESTER JACKSON B (US) 2001-11-15 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-20010041728-A1 Oxazolidinone antibacterial agents having a thiocarbonyl functionality OXA1L, MRPL21, TOP1 POLB 1847/4885NPSR1 4458/4885ESR1 3629/4885

“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.