SCHEMBL6170105

SCHEMBL6170105

CCOC(=O)C(CCC(=O)O)C(=O)c1cc(F)c(Cl)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
P2RY12 Q9H244 6/20 0.34
TDP1 Q9NUW8 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
CASP1 P29466 1/20 0.32
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
CTNNB1 P35222 1/20 0.31
TCF7L2 Q9NQB0 1/20 0.31
TSHR P16473 1/20 0.30
FFAR1 O14842 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL9686323 0.81 KEAP1 (0.51) KEAP1NFE2L2TDP1CASP1HPGD
SCHEMBL5160108 0.78 KEAP1 (0.58) KEAP1NFE2L2HPGDMAPTCTNNB1
SCHEMBL9088405 0.77 TDP1 (0.31) P2RY12TDP1
SCHEMBL10440743 0.75 ALDH1A1 (0.30)
SCHEMBL860929 0.75 KEAP1 (0.57) KEAP1NFE2L2CASP1HPGDNPC1
SCHEMBL10502237 0.74 KEAP1 (0.43) KEAP1NFE2L2CASP1HPGDHTT
SCHEMBL7015663 0.72 KEAP1 (0.40) KEAP1NFE2L2KMT2AMAPTMEN1
SCHEMBL1389163 0.70 KEAP1 (0.51) KEAP1NFE2L2TDP1CASP1HPGD
SCHEMBL29980061 0.70 KEAP1 (0.51) KEAP1NFE2L2TDP1CASP1HPGD
SCHEMBL7373212 0.70 KMT2A (0.43) TDP1HPGDHTTKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341781-B1 ANTIMICROBIAL QUINOLONES PROCTER & GAMBLE (US) 2005-09-14 EP disclosed
US-6900224-B2 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY (US) 2005-05-31 US disclosed
EP-1532137-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2005-05-25 EP disclosed
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2004-02-26 US disclosed
WO-2004014893-A2 ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2004-02-19 WO disclosed
US-20040029882-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE CO. 2004-02-12 US disclosed
US-6645981-B2 For therapy of microbial infection THE PROCTER & GAMBLE COMPANY 2003-11-11 US disclosed
US-20030008894-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2003-01-09 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 (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-20040038975-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 KEAP1 1044/4885NFE2L2 1732/4885P2RY12 2236/4885
US-20030008894-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 KEAP1 1044/4885NFE2L2 1732/4885P2RY12 2236/4885
US-20040029882-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 KEAP1 1044/4885NFE2L2 1732/4885P2RY12 2236/4885

“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.