SCHEMBL2898382

SCHEMBL2898382

CS(=O)(=O)OC[C@H]1CN(c2ccc(I)c(F)c2)C(=O)O1.O=C1O[C@@H](CO)CN1c1ccc(I)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 7/20 0.53
MAOB P27338 7/20 0.48
MAOA P21397 6/20 0.48
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.42
LMNA P02545 1/20 0.41
PTGS1 P23219 1/20 0.41
SDHA P31040 1/20 0.41

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
SCHEMBL1032546 0.95 MAOB (0.48) CALML3MAOBMAOALMNAPTGS1
SCHEMBL1032547 0.95 MAOB (0.48) CALML3MAOBMAOALMNAPTGS1
SCHEMBL1035579 0.87 CALML3 (0.65) CALML3MAOBMAOACYP2C19CYP3A4
SCHEMBL1557322 0.87 CALML3 (0.65) CALML3MAOBMAOACYP2C19CYP3A4
SCHEMBL1222294 0.84 MAOB (0.50) CALML3MAOBMAOALMNAPTGS1
SCHEMBL1222291 0.84 MAOB (0.50) CALML3MAOBMAOALMNAPTGS1
SCHEMBL2898383 0.84 CALML3 (0.53) CALML3MAOBMAOACYP2C19CYP3A4
SCHEMBL2891056 0.83 MAOB (0.44) CALML3MAOBMAOA
SCHEMBL18770241 0.82 MAOB (0.48) CALML3MAOBMAOALMNAPTGS1
SCHEMBL12964562 0.82 MAOB (0.48) CALML3MAOBMAOALMNAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286211-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2010-11-11 US disclosed
EP-1599471-B1 HYDROXYMETHYL SUBSTITUTED DIHYDROISOXAZOLE DERIVATIVES USEFUL AS ANTIBIOTIC AGENTS ASTRAZENECA AB (SE) 2008-05-28 EP disclosed
US-20080064689-A1 3-[4-(6-Pyridin-3-Yl)-3-Phenyl] -5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones as Antibacterial Agents ASTRAZENECA AB (SE) 2008-03-13 US disclosed
US-20080021071-A1 3-{4-(Pyridin-3-Yl) Phenyl}-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones as Antibacterial Agents ASTRAZENECA AB (SE) 2008-01-24 US disclosed
US-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents ASTRAZENECA AB (SE) 2008-01-24 US disclosed
US-20070208062-A1 3-(4-(2-DIHYDROISOXAZOL-3-YLPYRIDIN-5-YL)PHENYL)-5-TRIAZOL-1-YLMETHYLOXAZOLIDIN-2-ONE DERIVATIVES AS MAO INHIBITORS FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2007-09-06 US disclosed
US-7192974-B2 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2007-03-20 US disclosed
US-7186738-B2 Antibacterial oxalidinones ASTRAZENECA AB (SE) 2007-03-06 US disclosed
US-20060270637-A1 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents ASTRAZENECA AB (SE) 2006-11-30 US disclosed
US-20060116400-A1 Oxazolidinone and/or isoxazoline derivatives as antibacterial agents ASTRAZENECA AB (SE) 2006-06-01 US disclosed
US-20060079695-A1 antibiotics such as (5R)-3-[3-Fluoro-4-(3-methylisoxazol-5-yl)phenyl]-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one, having effective activity against both grampositive and gramnegative pathogens ASTRAZENECA AB (SE) 2006-04-13 US disclosed
US-20060058314-A1 Oxazolidinone derivatives and their use as antibacterial agents ASTRAZENECA AB (SE) 2006-03-16 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 (9 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-20080064689-A1 3-[4-(6-Pyridin-3-Yl)-3-Phenyl] -5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones as Antibacterial Agents H1-3, H1-0, MRPL21 CALML3 2992/4885MAOB 1929/4885MAOA 2336/4885
US-20060058314-A1 Oxazolidinone derivatives and their use as antibacterial agents NR0B1, NR0B2, CYP8B1 CALML3 4568/4885MAOB 331/4885MAOA 519/4885
US-20100286211-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS OXA1L, PDK4, MLYCD CALML3 3047/4885MAOB 2038/4885MAOA 1717/4885
US-20070208062-A1 3-(4-(2-DIHYDROISOXAZOL-3-YLPYRIDIN-5-YL)PHENYL)-5-TRIAZOL-1-YLMETHYLOXAZOLIDIN-2-ONE DERIVATIVES AS MAO INHIBITORS FOR THE TREATMENT OF BACTERIAL INFECTIONS MAOA, MAOB, TH CALML3 2528/4885MAOB 2/4885MAOA 1/4885
US-20060116400-A1 Oxazolidinone and/or isoxazoline derivatives as antibacterial agents NR0B2, NR0B1, HRH2 CALML3 4421/4885MAOB 168/4885MAOA 293/4885
US-20060079695-A1 antibiotics such as (5R)-3-[3-Fluoro-4-(3-methylisoxazol-5-yl)phenyl]-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one, having effective activity against both grampositive and gramnegative pathogens HRH1, HRH2, HDHD5 CALML3 2381/4885MAOB 1069/4885MAOA 527/4885
US-20080021012-A1 3-[4-{6-Substituted Alkanoyl Pyridin-3-Yl}-3-Phenyl]-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones As Antibacterial Agents MRPL21, ARG1, OXA1L CALML3 3278/4885MAOB 1222/4885MAOA 1143/4885
US-20060270637-A1 Hydroxymethyl substituted dihydroisoxazole derivatives useful as antibiotic agents RPS7, CYP3A7, CYP2A7 CALML3 3916/4885MAOB 1493/4885MAOA 1154/4885
US-20080021071-A1 3-{4-(Pyridin-3-Yl) Phenyl}-5-(1H-1,2,3-Triazol-1-Ylmethyl)-1,3-Oxazolidin-2-Ones as Antibacterial Agents MRPL21, ARG1, OXA1L CALML3 3613/4885MAOB 1022/4885MAOA 936/4885

“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.