SCHEMBL6718922

SCHEMBL6718922

O=C(O)c1ccc(F)c(F)c1F.[NaH]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.67
CES1 P23141 4/20 0.67
CYP1A2 P05177 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ASPH Q12797 1/20 0.45
KDM8 Q8N371 1/20 0.45
MAP2K1 Q02750 2/20 0.44
MAP2K2 P36507 1/20 0.44
ALB P02768 2/20 0.43
BCHE P06276 1/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SELL P14151 1/20 0.38
SELP P16109 1/20 0.38
ACMSD Q8TDX5 2/20 0.38
KEAP1 Q14145 1/20 0.38
NAPRT Q6XQN6 1/20 0.38

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
SCHEMBL241797 0.98 CES2 (0.70) CES2CES1CYP1A2KDM4EASPH
Hydrochloric Acid SCHEMBL4730575 0.95 CES2 (0.67) CES2CES1CYP1A2KDM4EASPH
SCHEMBL5301076 0.95 CES2 (0.67) CES2CES1CYP1A2KDM4EASPH
SCHEMBL30548341 0.87 CYP1A2 (0.58) CES2CES1CYP1A2KDM4EASPH
SCHEMBL1713540 0.87 CYP1A2 (0.58) CES2CES1CYP1A2KDM4EASPH
Benzoic Acid SCHEMBL2560608 0.86 CES2 (0.55) CES2CES1KDM4EALBBCHE
SCHEMBL6138722 0.82 CES2 (0.56) CES2CES1CYP1A2KDM4EASPH
SCHEMBL1760850 0.80 CES2 (0.73) CES2CES1MAP2K1MAP2K2BCHE
SCHEMBL3308958 0.79 CES2 (0.52) CES2CES1CYP1A2KDM4EASPH
SCHEMBL1922498 0.79 ALB (0.57) CES2CES1CYP1A2KDM4EASPH

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-20040039208-A1 Process for making n-aryl-anthranilic acids and their derivatives CHEN MICHAEL HUAI GU (US) 2004-02-26 US disclosed
EP-1313694-A1 PROCESS FOR MAKING N-ARYL-ANTHRANILIC ACIDS AND THEIR DERIVATIVES WARNER-LAMBERT COMPANY (US) 2003-05-28 EP disclosed
WO-2002018319-A1 PROCESS FOR MAKING N-ARYL-ANTHRANILIC ACIDS AND THEIR DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2002-03-07 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 (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-20040039208-A1 Process for making n-aryl-anthranilic acids and their derivatives AADAC, AHR, AADAT CES2 1193/4885CES1 1594/4885CYP1A2 37/4885

“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.