SCHEMBL2898104

SCHEMBL2898104

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

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 7/20 0.59
MAOA P21397 6/20 0.54
MAOB P27338 5/20 0.54
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP3A4 P08684 1/20 0.45
LMNA P02545 1/20 0.42
PTGS1 P23219 1/20 0.42
SDHA P31040 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
SCHEMBL2890864 1.00 CALML3 (0.59) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL3368973 0.86 F10 (0.49) CALML3MAOAMAOB
SCHEMBL3368977 0.86 F10 (0.49) CALML3MAOAMAOB
SCHEMBL412867 0.86 CALML3 (0.62) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL12956131 0.86 F10 (0.49) CALML3MAOAMAOB
SCHEMBL16786670 0.86 GRM2 (0.46) CALML3MAOAMAOBLMNAPTGS1
SCHEMBL1557322 0.85 CALML3 (0.65) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL1035579 0.85 CALML3 (0.65) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL3430334 0.84 MAOA (0.58) CALML3MAOAMAOBCYP2C19CYP2C9
SCHEMBL3430331 0.84 MAOA (0.58) 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 8 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-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
EP-1646629-A2 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2006-04-19 EP disclosed
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof MERCK SHARP & DOHME CORP. 2005-02-17 US disclosed
WO-2005005398-A2 CYCLOPROPYL GROUP SUBSTITUTED OXAZOLIDINONE ANTIBIOTICS AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2005-01-20 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 CALML3 3370/4885MAOA 2977/4885MAOB 1835/4885
US-20100286211-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS OXA1L, PDK4, MLYCD CALML3 3047/4885MAOA 1717/4885MAOB 2038/4885
US-20050038092-A1 Cyclopropyl group substituted oxazolidinone antibiotics and derivatives thereof OXA1L, ALAD, COASY CALML3 3370/4885MAOA 2977/4885MAOB 1835/4885

“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.