SCHEMBL6098613

SCHEMBL6098613

N#CSc1ccc(NC(=O)OCc2ccccc2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.53
TP53 P04637 2/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
RAB9A P51151 1/20 0.51
ATM Q13315 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.49
ENPP2 Q13822 3/20 0.48
ROCK2 O75116 2/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
PTPN1 P18031 1/20 0.46
KDM1A O60341 2/20 0.46
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
RCOR1 Q9UKL0 1/20 0.45

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
SCHEMBL6111619 0.81 MGLL (0.51) MGLLTP53MAPTNPC1ALDH1A1
Water SCHEMBL7927554 0.81 MGLL (0.48) MGLLTP53MAPTNPC1ALDH1A1
Water SCHEMBL7927557 0.81 MGLL (0.48) MGLLTP53MAPTNPC1ALDH1A1
SCHEMBL3758290 0.80 MGLL (0.60) MGLLTP53MAPTNPC1ALDH1A1
SCHEMBL12892589 0.80 MGLL (0.60) MGLLTP53MAPTNPC1ALDH1A1
SCHEMBL17653954 0.79 MGLL (0.51) MGLLTP53MAPTNPC1ALDH1A1
SCHEMBL27620941 0.79 TP53 (0.57) MGLLTP53MAPTNPC1ALDH1A1
SCHEMBL30853659 0.79 MGLL (0.59) MGLLTP53MAPTNPC1ALDH1A1
SCHEMBL17653814 0.79 MGLL (0.59) MGLLTP53MAPTNPC1ALDH1A1
SCHEMBL2088984 0.79 MGLL (0.59) MGLLTP53MAPTNPC1ALDH1A1

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-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 (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-20020183371-A1 Oxazolidinone combinatorial libraries, compositions and methods of preparation PAICS, CDK4, OXA1L MGLL 4006/4885TP53 2529/4885MAPT 3014/4885
US-20020169191-A1 Oxazolidinone compounds and methods of preparation and use thereof OXA1L, PAM, DPM1 MGLL 2792/4885TP53 3114/4885MAPT 4625/4885
US-20050004174-A1 Antibacterial agents PAICS, OXA1L, PNKP MGLL 3401/4885TP53 2861/4885MAPT 3591/4885

“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.