SCHEMBL5730852

SCHEMBL5730852

O=C(Nc1ccc(C2CSC2)c(F)c1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.54
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
RAB9A P51151 1/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM1A O60341 3/20 0.49
MAOA P21397 3/20 0.49
ENPP2 Q13822 3/20 0.49
MAOB P27338 2/20 0.49
RCOR1 Q9UKL0 2/20 0.48
POLB P06746 1/20 0.47
KDM1B Q8NB78 1/20 0.47
ROCK2 O75116 2/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46

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
SCHEMBL7689833 0.89 MGLL (0.52) MGLLTP53MAPTNPC1ALDH1A1
SCHEMBL4879529 0.89 MGLL (0.52) MGLLTP53MAPTNPC1ALDH1A1
SCHEMBL14197109 0.89 MGLL (0.52) MGLLTP53MAPTNPC1ALDH1A1
SCHEMBL5592154 0.86 MGLL (0.54) MGLLTP53MAPTNPC1ALDH1A1
SCHEMBL5592097 0.86 MGLL (0.54) MGLLTP53MAPTNPC1ALDH1A1
SCHEMBL5592090 0.85 MGLL (0.53) MGLLTP53MAPTNPC1ALDH1A1
SCHEMBL6399085 0.84 MGLL (0.51) MGLLTP53MAPTNPC1ALDH1A1
SCHEMBL5592075 0.84 MGLL (0.51) MGLLTP53MAPTNPC1ALDH1A1
SCHEMBL14370633 0.81 MGLL (0.49) MGLLTP53MAPTNPC1ALDH1A1
SCHEMBL5369903 0.81 MGLL (0.49) MGLLTP53MAPTNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1328509-B1 METHODS OF PRODUCING OXAZOLIDINONE COMPOUNDS PHARMACIA & UPJOHN CO LLC (US) 2006-03-22 EP disclosed
US-6998420-B2 Oxazolidinone compounds PHARMACIA & UPJOHN COMPANY (US) 2006-02-14 US disclosed
US-6833453-B2 As an example, manufacturing a 5-(tert-butylcarbamoyl)-amino-methyl-oxazolidinone by condensing a carbamate with a tert-butylcarbamoyl protected derivative of glycidylamine or a 3-amino-1-halopropanol PHARMACIA & UPJOHN COMPANY 2004-12-21 US disclosed
US-20040143131-A1 in particular,manufacturing a 5-(tert-butylcarbamoyl)-aminomethyl-oxazolidinone by condensing a carbamate with a tert-butylcarbamoyl protected derivative of glycidylamine or 3-amino-1-halopropanol, intermediates PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
EP-1328509-A1 METHODS OF PRODUCING OXAZOLIDINONE COMPOUNDS Pharmacia & Upjohn Company (US) 2003-07-23 EP disclosed
US-20020086900-A1 Methods of producing oxazolidinone compounds PERRAULT WILLIAM R (US) 2002-07-04 US disclosed
WO-2002032857-A1 METHODS OF PRODUCING OXAZOLIDINONE COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2002-04-25 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-20040143131-A1 in particular,manufacturing a 5-(tert-butylcarbamoyl)-aminomethyl-oxazolidinone by condensing a carbamate with a tert-butylcarbamoyl protected derivative of glycidylamine or 3-amino-1-halopropanol, intermediates TET1, NAT10, TET3 MGLL 1782/4885TP53 3260/4885MAPT 2954/4885
US-20020086900-A1 Methods of producing oxazolidinone compounds TET3, TET1, AZI2 MGLL 2455/4885TP53 3197/4885MAPT 3115/4885

“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.