SCHEMBL17833920

SCHEMBL17833920

C=C(N)c1cccc(F)c1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
BCHE P06276 1/20 0.34
ALB P02768 1/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL24832884 0.83 CES2 (0.35) CES2CES1BCHEALBGAA
SCHEMBL25665104 0.83 CES2 (0.35) CES2CES1BCHEALBGAA
SCHEMBL25626771 0.81 CES2 (0.34) CES2CES1BCHEALBGAA
SCHEMBL17030746 0.81 CES2 (0.42) CES2CES1BCHEALBGAA
SCHEMBL10222518 0.76 ALB (0.55) CES2CES1BCHEALBGAA
SCHEMBL79047 0.75 ACHE (0.39) CES2CES1BCHEGAAMAPT
SCHEMBL21891955 0.74 CES2 (0.42) CES2CES1BCHEALBGAA
SCHEMBL22872664 0.73 CES2 (0.52) CES2CES1BCHEGAAMAPT
SCHEMBL22023672 0.71 GAA (0.62) CES2CES1BCHEALBGAA
SCHEMBL279180 0.70 CYP3A4 (0.39) CES2CES1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 US disclosed
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 US disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 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 (5 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-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS KRAS, NRAS, HRAS CES2 4559/4885CES1 2445/4885BCHE 2695/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CES2 4845/4885CES1 3347/4885BCHE 3787/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CES2 4879/4885CES1 3492/4885BCHE 4052/4885
US-10011600-B2 Methods and compositions for inhibition of Ras KRAS, NRAS, HRAS CES2 4559/4885CES1 2445/4885BCHE 2695/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS CES2 4739/4885CES1 4071/4885BCHE 4621/4885

“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.