SCHEMBL7078296

SCHEMBL7078296

CN1CC=C(c2c(F)cc(NC(=O)OCc3ccccc3)cc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.45
MGLL Q99685 2/20 0.44
POLB P06746 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
THRB P10828 1/20 0.41

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
SCHEMBL5834261 0.87 NAMPT (0.48) BTKMGLLPOLBALDH1A1MAPT
SCHEMBL7030868 0.84 NAMPT (0.49) BTK
SCHEMBL7028452 0.80 NPC1 (0.47) MGLLPOLBNPC1ALDH1A1TP53
SCHEMBL5234339 0.79 MGLL (0.46) MGLLPOLBNPC1ALDH1A1TP53
SCHEMBL7032524 0.75 NAMPT (0.48) BTKMGLLPOLBNPC1ALDH1A1
SCHEMBL7002216 0.75 MGLL (0.42) MGLLPOLBNPC1ALDH1A1TP53
SCHEMBL29707426 0.73 KEAP1 (0.46) ALDH1A1MAPTSMN1; SMN2
SCHEMBL18786518 0.72 MGLL (0.58) MGLLPOLBNPC1ALDH1A1TP53
SCHEMBL30762759 0.72 MGLL (0.47) MGLLPOLBNPC1ALDH1A1TP53
SCHEMBL5283076 0.72 MGLL (0.45) MGLLPOLBNPC1ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6617339-B1 5-Isoxazolyloxymethyl-3-((dihydroxypropanoyl)-4-tetrahydropyri dyl-3,5- difluorophenyl)oxazolidinone, or the phosphated derivative or its disodium salt; antibiotic with useful activity against Grampositive pathogens SYNGENTA LIMITED (GB) 2003-09-09 US disclosed
US-20030144263-A1 Oxazolidinone derivatives, process for their preparation and pharmaceutical compositions containing them SYNGENTA LIMITED (GB) 2003-07-31 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 (1 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-20030144263-A1 Oxazolidinone derivatives, process for their preparation and pharmaceutical compositions containing them CYP3A5, CYP2D6, OXA1L BTK 2028/4885MGLL 1579/4885POLB 984/4885

“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.