SCHEMBL3430331

SCHEMBL3430331

O=C1O[C@@H](CO)CN1c1cc(F)cc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.58
MAOB P27338 3/20 0.58
CALML3 P27482 6/20 0.56
GRM2 Q14416 3/20 0.48
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP3A4 P08684 1/20 0.42
FADS1 O60427 1/20 0.42

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
SCHEMBL3430334 1.00 MAOA (0.58) MAOAMAOBCALML3GRM2CYP2C19
SCHEMBL1557298 0.85 MAOA (0.71) MAOAMAOBCALML3GRM2CYP2C19
SCHEMBL3087781 0.85 MAOA (0.71) MAOAMAOBCALML3GRM2CYP2C19
SCHEMBL1032517 0.85 MAOA (0.71) MAOAMAOBCALML3GRM2CYP2C19
SCHEMBL30063909 0.85 MAOA (0.71) MAOAMAOBCALML3GRM2CYP2C19
SCHEMBL2901464 0.84 F10 (0.52) MAOAMAOBCALML3GRM2FADS1
SCHEMBL2896810 0.84 F10 (0.52) MAOAMAOBCALML3GRM2FADS1
SCHEMBL8594735 0.84 GRM2 (0.48) MAOAMAOBCALML3GRM2FADS1
SCHEMBL7297166 0.84 GRM2 (0.63) MAOAMAOBCALML3GRM2FADS1
SCHEMBL412867 0.84 CALML3 (0.62) MAOAMAOBCALML3CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1646629-B1 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK SHARP & DOHME (US) 2010-06-23 EP disclosed
US-7582659-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2009-09-01 US disclosed
US-7462633-B2 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2008-12-09 US disclosed
US-20070203187-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK & CO., INC. (US) 2007-08-30 US disclosed
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK SHARP & DOHME CORP. 2005-02-17 US disclosed
US-20030216374-A1 Antibiotic oxazolidinone derivatives SYNGENTA LIMITED (GB) 2003-11-20 US disclosed
US-6605630-B1 Active against drug resistant gram positive pathogens SYNGENTA LIMITED (GB) 2003-08-12 US disclosed
EP-1005468-A1 ANTIBIOTIC OXAZOLIDINONE DERIVATIVES ZENECA LIMITED (GB) 2000-06-07 EP disclosed
WO-1999010342-A1 ANTIBIOTIC OXAZOLIDINONE DERIVATIVES ZENECA LIMITED (GB) 1999-03-04 WO disclosed
EP-0673370-B1 TROPONE-SUBSTITUTED PHENYLOXAZOLIDINONE ANTIBACTERIAL AGENTS UPJOHN CO (US) 1998-01-07 EP disclosed
US-5523403-A Tropone-substituted phenyloxazolidinone antibacterial agents THE UPJOHN COMPANY (US) 1996-06-04 US disclosed
EP-0673370-A1 TROPONE-SUBSTITUTED PHENYLOXAZOLIDINONE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1995-09-27 EP disclosed
CN-1092413-A The phenyloxazolidinone antibacterial agents that tropone replaces UPJOHN CO (US) 1994-09-21 CN disclosed
WO-1994013649-A1 TROPONE-SUBSTITUTED PHENYLOXAZOLIDINONE ANTIBACTERIAL AGENTS THE UPJOHN COMPANY (US) 1994-06-23 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-20070203187-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY MAOA 2977/4885MAOB 1835/4885CALML3 3370/4885
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY MAOA 2977/4885MAOB 1835/4885CALML3 3370/4885
US-20030216374-A1 Antibiotic oxazolidinone derivatives OXA1L, HRH1, OGDH MAOA 1078/4885MAOB 386/4885CALML3 4822/4885

“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.