SCHEMBL5160108

SCHEMBL5160108

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.58
NFE2L2 Q16236 1/20 0.58
CTNNB1 P35222 1/20 0.35
TCF7L2 Q9NQB0 1/20 0.35
MDM2 Q00987 6/20 0.32
AKR1C3 P42330 3/20 0.32
AKR1C2 P52895 3/20 0.32
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALPL P05186 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7015663 0.81 KEAP1 (0.40) KEAP1NFE2L2LMNAMAPT
SCHEMBL10501891 0.81 KEAP1 (0.66) KEAP1NFE2L2CTNNB1TCF7L2ALPL
SCHEMBL9187616 0.80 POLB (0.45) LMNAMAPTHPGDSMN1; SMN2
SCHEMBL6170105 0.78 KEAP1 (0.47) KEAP1NFE2L2CTNNB1TCF7L2MAPT
SCHEMBL10806450 0.77 CES2 (0.33) KEAP1NFE2L2MDM2AKR1C3AKR1C2
SCHEMBL9686323 0.77 KEAP1 (0.51) KEAP1NFE2L2LMNAKDM4EALPL
SCHEMBL5158128 0.75 SLC6A12 (0.37) KEAP1NFE2L2AKR1C3AKR1C2KDM4E
SCHEMBL29744459 0.75 KEAP1 (1.00) KEAP1NFE2L2CTNNB1TCF7L2LMNA
SCHEMBL113812 0.75 KEAP1 (1.00) KEAP1NFE2L2CTNNB1TCF7L2LMNA
SCHEMBL1345064 0.74 CES2 (0.36) AKR1C3AKR1C2SMN1; SMN2

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-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP disclosed
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
US-20040038975-A1 Antimicrobial quinolones, their compositions and uses THE PROCTER & GAMBLE COMPANY 2004-02-26 US 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
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP 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 1732/4885CTNNB1 2807/4885
US-20030008894-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 KEAP1 1044/4885NFE2L2 1732/4885CTNNB1 2807/4885
US-20040029882-A1 Antimicrobial quinolones, their compositions and uses QARS1, NQO2, Q6ZSR9 KEAP1 1044/4885NFE2L2 1732/4885CTNNB1 2807/4885

“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.