SCHEMBL13089911

SCHEMBL13089911

[C-]#[N+]Cc1csc(-c2ccc(-c3ccc(N4C[C@H](CO)OC4=O)cc3F)cc2)n1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 6/20 0.64
MAOA P21397 8/20 0.52
MAOB P27338 2/20 0.52
CYP2C19 P33261 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 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
SCHEMBL13089909 0.89 MAOA (0.59) CALML3MAOAMAOB
SCHEMBL1378948 0.87 CALML3 (0.65) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL13089915 0.86 MAOA (0.65) MAOACYP2C9CYP3A4CYP2D6
SCHEMBL1556067 0.79 CALML3 (0.55) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL1556071 0.79 CALML3 (0.55) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL1557056 0.79 CALML3 (0.53) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL1557053 0.79 CALML3 (0.53) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL1556065 0.79 MAOA (0.63) CALML3MAOAMAOB
SCHEMBL29432576 0.78 CALML3 (0.77) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL22245049 0.78 CALML3 (0.77) CALML3MAOAMAOBCYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049763-A1 NOVEL OXAZOLIDINONE DERIVATIVES DONG A ST CO LTD (KR) 2017-02-23 US disclosed
US-9163043-B2 Oxazolidinone derivatives DONG-A ST CO., LTD. (KR) 2015-10-20 US disclosed
US-20140350059-A1 NOVEL OXAZOLIDINONE DERIVATIVES DONG A ST CO LTD (KR) 2014-11-27 US disclosed
US-20130281492-A1 NOVEL OXAZOLIDINONE DERIVATIVES TRIUS THERAPEUTICS, INC. 2013-10-24 US disclosed
US-20130274174-A1 THERAPEUTIC COMBINATION OF DAPTOMYCIN AND PROTEIN SYNTHESIS INHIBITOR ANTIBIOTIC, AND METHODS OF USE TRIUS THERAPEUTICS, INC. 2013-10-17 US disclosed
US-8461188-B2 Therapeutic combination of daptomycin and protein synthesis inhibitor antibiotic, and methods of use TRIUS THERAPEUTICS, INC. (US) 2013-06-11 US disclosed
US-20130102523-A1 THERAPEUTIC COMBINATION OF DAPTOMYCIN AND PROTEIN SYNTHESIS INHIBITOR ANTIBIOTIC, AND METHODS OF USE TRIUS THERAPEUTICS, INC. (US) 2013-04-25 US disclosed
US-8420676-B2 Oxazolidinone derivatives DONG-A PHARMACEUTICALS CO. LTD. (KR) 2013-04-16 US disclosed
US-7816379-B2 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes torezolid phosphate DONG-A PHARM. CO., LTD. (KR) 2010-10-19 US disclosed
US-20090192197-A1 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes Torezolid phosphate DONG-A PHARM. CO., LTD. (KR) 2009-07-30 US disclosed
US-20070155798-A1 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes torezolid phosphate DONG-A PHARM. CO., LTD. 2007-07-05 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 (7 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-20170049763-A1 NOVEL OXAZOLIDINONE DERIVATIVES ALPI, OXA1L, SI CALML3 3337/4885MAOA 2505/4885MAOB 1905/4885
US-20130281492-A1 NOVEL OXAZOLIDINONE DERIVATIVES ALPI, OXA1L, SI CALML3 3337/4885MAOA 2505/4885MAOB 1905/4885
US-20130102523-A1 THERAPEUTIC COMBINATION OF DAPTOMYCIN AND PROTEIN SYNTHESIS INHIBITOR ANTIBIOTIC, AND METHODS OF USE EIF4EBP1, EIF4E, EIF6 CALML3 1972/4885MAOA 4539/4885MAOB 4420/4885
US-20070155798-A1 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes torezolid phosphate ALPI, SI, TST CALML3 1992/4885MAOA 4398/4885MAOB 4248/4885
US-20090192197-A1 Antibiotics with improved solubility, lower toxicity; potent antibacterial activity; includes Torezolid phosphate ALPI, TPI1, SI CALML3 2192/4885MAOA 3819/4885MAOB 3591/4885
US-20140350059-A1 NOVEL OXAZOLIDINONE DERIVATIVES ALPI, OXA1L, SI CALML3 3337/4885MAOA 2505/4885MAOB 1905/4885
US-20130274174-A1 THERAPEUTIC COMBINATION OF DAPTOMYCIN AND PROTEIN SYNTHESIS INHIBITOR ANTIBIOTIC, AND METHODS OF USE EIF4EBP1, EIF4E, EIF6 CALML3 1972/4885MAOA 4539/4885MAOB 4420/4885

“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.