SCHEMBL4874563

SCHEMBL4874563

CS(=O)(=O)OC[C@@H]1C(c2ccc(NC(=O)OCc3ccccc3)cc2F)[C@@H]1COS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.48
ENPP2 Q13822 3/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
PTPN1 P18031 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
POLB P06746 1/20 0.42
KDM1A O60341 3/20 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
SCHEMBL14197105 1.00 MGLL (0.48) MGLLENPP2NPC1ALDH1A1TP53
SCHEMBL5378602 0.88 MGLL (0.45) MGLLENPP2NPC1ALDH1A1TP53
SCHEMBL4879211 0.84 MGLL (0.55) MGLLENPP2NPC1ALDH1A1TP53
SCHEMBL14197104 0.84 MGLL (0.55) MGLLENPP2NPC1ALDH1A1TP53
SCHEMBL14197111 0.77 TP53 (0.53) MGLLENPP2NPC1ALDH1A1TP53
SCHEMBL14197109 0.77 MGLL (0.52) MGLLENPP2NPC1ALDH1A1TP53
SCHEMBL4875448 0.77 MGLL (0.52) MGLLENPP2NPC1ALDH1A1TP53
SCHEMBL4882624 0.77 TP53 (0.53) MGLLENPP2NPC1ALDH1A1TP53
SCHEMBL4879529 0.77 MGLL (0.52) MGLLENPP2NPC1ALDH1A1TP53
SCHEMBL4875453 0.76 MGLL (0.51) MGLLENPP2NPC1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090884-A1 ANTIMICROBIAL [3.1.0] BICYCLOHEXYLPHENYL- OXAZOLIDINONE DERIVATIVES AND ANALOGUES PFIZER INC 2008-04-17 US disclosed
US-7279494-B2 Antimicrobial [3.1.0] bicyclohexylphenyl-oxazolidinone derivatives and analogues PFIZER INC. (US) 2007-10-09 US disclosed
EP-1615916-A1 ANTIMICROBIAL 3.1.0 BICYCLOHEXYLPHENYL-OXAZOLIDINONE DERIVATIVES AND ANALOGUES Pharmacia & Upjohn Company LLC (US) 2006-01-18 EP disclosed
US-20050192325-A1 Antimicrobial [3.1.0] bicyclohexylphenyl-oxazolidinone derivatives and analogues RENSLO ADAM (US) 2005-09-01 US disclosed
WO-2004089943-A1 ANTIMICROBIAL [3.1.0] BICYCLOHEXYLPHENYL-OXAZOLIDINONE DERIVATIVES AND ANALOGUES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-10-21 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 (2 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-20050192325-A1 Antimicrobial [3.1.0] bicyclohexylphenyl-oxazolidinone derivatives and analogues OXA1L, CYP51A1, CYP2C19 MGLL 1507/4885ENPP2 4605/4885NPC1 682/4885
US-20080090884-A1 ANTIMICROBIAL [3.1.0] BICYCLOHEXYLPHENYL- OXAZOLIDINONE DERIVATIVES AND ANALOGUES OXA1L, CYP51A1, CYP2C19 MGLL 1527/4885ENPP2 4618/4885NPC1 795/4885

“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.