SCHEMBL4875453

SCHEMBL4875453

O=C(Nc1ccc(C2[C@H]3CS(=O)(=O)C[C@@H]23)c(F)c1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.51
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ENPP2 Q13822 3/20 0.47
KDM1A O60341 3/20 0.47
MAOA P21397 3/20 0.47
MAOB P27338 2/20 0.47
RCOR1 Q9UKL0 2/20 0.46
KDM1B Q8NB78 1/20 0.45
POLB P06746 1/20 0.44
SLC10A2 Q12908 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
ROCK2 O75116 1/20 0.43

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
SCHEMBL14197159 1.00 MGLL (0.51) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL4875448 0.93 MGLL (0.52) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL4882624 0.86 TP53 (0.53) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL14197109 0.86 MGLL (0.52) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL14197111 0.86 TP53 (0.53) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL4879529 0.86 MGLL (0.52) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL14197104 0.82 MGLL (0.55) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL4879211 0.82 MGLL (0.55) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL5375091 0.82 MGLL (0.47) MGLLNPC1ALDH1A1TP53MAPT
SCHEMBL14370613 0.82 MGLL (0.47) MGLLNPC1ALDH1A1TP53MAPT

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 3 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
US-20050192325-A1 Antimicrobial [3.1.0] bicyclohexylphenyl-oxazolidinone derivatives and analogues RENSLO ADAM (US) 2005-09-01 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 (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 1507/4885NPC1 682/4885ALDH1A1 403/4885
US-20080090884-A1 ANTIMICROBIAL [3.1.0] BICYCLOHEXYLPHENYL- OXAZOLIDINONE DERIVATIVES AND ANALOGUES OXA1L, CYP51A1, CYP2C19 MGLL 1527/4885NPC1 795/4885ALDH1A1 369/4885

“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.