SCHEMBL6096667

SCHEMBL6096667

CC(C)(C)OC(=O)c1ccc(N2C[C@H](CO)OC2=O)cc1F

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CALML3 P27482 7/20 0.55
MAOB P27338 7/20 0.51
MAOA P21397 6/20 0.51
LMNA P02545 1/20 0.47
PTGS1 P23219 1/20 0.47
SDHA P31040 1/20 0.47
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.44

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
SCHEMBL3753408 1.00 CALML3 (0.55) CALML3MAOBMAOALMNAPTGS1
SCHEMBL6099046 0.91 MAOA (0.47) CALML3MAOBMAOALMNAPTGS1
SCHEMBL6098943 0.87 MAOA (0.65) CALML3MAOBMAOALMNAPTGS1
SCHEMBL14024102 0.85 MAOA (0.45) CALML3MAOBMAOALMNAPTGS1
SCHEMBL6679441 0.81 CALML3 (0.51) CALML3MAOBMAOALMNAPTGS1
SCHEMBL6613535 0.81 MAOB (0.59) CALML3MAOBMAOALMNAPTGS1
SCHEMBL6111262 0.81 MAOB (0.59) CALML3MAOBMAOALMNAPTGS1
SCHEMBL6679438 0.81 CALML3 (0.51) CALML3MAOBMAOALMNAPTGS1
SCHEMBL2948879 0.81 MAOB (0.59) CALML3MAOBMAOALMNAPTGS1
SCHEMBL6477003 0.80 MAOB (0.52) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298384-A1 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LTD. (IN) 2010-11-25 US disclosed
US-20100298384-A1 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LTD. (IN) 2010-11-25 US disclosed
WO-2008143649-A2 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS DR. REDDY'S LABORATORIES LIMITED (IN) 2008-11-27 WO disclosed
US-7002020-B1 Oxazolidinone combinatorial libraries, compositions and methods of preparation PHARMACIA & UPJOHN COMPANY (US) 2006-02-21 US disclosed
US-20050004174-A1 Antibacterial agents GORDEEV MIKHAIL F (US) 2005-01-06 US disclosed
US-6743811-B2 MICROBIOCIDES PHARMACIA & UPJOHN COMPANY 2004-06-01 US disclosed
US-6562844-B2 Attaching an olefin to a solid support; oxidizing the olefin to provide an epoxide functionality; opening the epoxide with an amine to form an amino alcohol; cyclizing the amino alcohol using a phosgene equivalent PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed
US-6531470-B1 Antimicrobial compounds PHARMACIA & UPJOHN COMPANY 2003-03-11 US disclosed
US-20020183371-A1 Oxazolidinone combinatorial libraries, compositions and methods of preparation GORDEEV MIKHAIL F (US) 2002-12-05 US disclosed
US-20020169191-A1 Oxazolidinone compounds and methods of preparation and use thereof PHARMACIA & UPJOHN COMPANY (US) 2002-11-14 US disclosed
US-6441005-B1 BACTERICIDES, ANTIBIOTICS AND MICROBIOCIDES PHARMACIA & UPJOHN COMPANY 2002-08-27 US disclosed
US-6239152-B1 Oxazolidinone combinatorial libraries, compositions and methods of preparation PHARMACIA & UPJOHN COMPANY 2001-05-29 US disclosed
EP-1049682-A1 OXAZOLIDINONE COMBINATORIAL LIBRARIES, COMPOSITIONS AND METHODS OF PREPARATION Versicor, Inc. (US) 2000-11-08 EP disclosed
WO-1999037630-A1 OXAZOLIDINONE COMBINATORIAL LIBRARIES, COMPOSITIONS AND METHODS OF PREPARATION VERSICOR, INC. (US) 1999-07-29 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 (4 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-20020183371-A1 Oxazolidinone combinatorial libraries, compositions and methods of preparation PAICS, CDK4, OXA1L CALML3 3555/4885MAOB 1298/4885MAOA 1267/4885
US-20020169191-A1 Oxazolidinone compounds and methods of preparation and use thereof OXA1L, PAM, DPM1 CALML3 3603/4885MAOB 852/4885MAOA 968/4885
US-20100298384-A1 NOVEL OXAZOLIDINONE COMPOUNDS AS ANTIINFECTIVE AGENTS OXA1L, MIF, VIP CALML3 4408/4885MAOB 2709/4885MAOA 3034/4885
US-20050004174-A1 Antibacterial agents PAICS, OXA1L, PNKP CALML3 3997/4885MAOB 1430/4885MAOA 858/4885

“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.