SCHEMBL546258

SCHEMBL546258

Cc1c(F)ccc(F)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.39
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
DAO P14920 1/20 0.35
SELL P14151 1/20 0.35
SELP P16109 1/20 0.35
SELE P16581 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALB P02768 1/20 0.34
ACHE P22303 3/20 0.33
SENP1 Q9P0U3 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
ALOX5 P09917 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
SCHEMBL22133743 0.83 CA6 (0.39) CA3CA6CA5ACA9CA14
SCHEMBL765925 0.83 ALDH1A1 (0.43) ERN1CA3CA6CA5ACA9
SCHEMBL27396426 0.83 TRPA1 (0.39) ERN1CA3CA6CA5ACA9
SCHEMBL5669068 0.83 MEN1 (0.40) ERN1CA3CA6CA5ACA9
SCHEMBL16760493 0.79 CYP3A4 (0.40) ERN1CA3CA6CA5ACA9
SCHEMBL2051687 0.79 EPRS1 (0.33) ERN1CA3CA6CA5ACA9
SCHEMBL14113092 0.79 DPP4 (0.37) CA3CA6CA5ACA9CA14
SCHEMBL22699000 0.79 ALDH1A1 (0.36) ERN1CA3CA6CA5ACA9
SCHEMBL19171723 0.78 ERN1 (0.38) ERN1CA3CA6CA5ACA9
SCHEMBL29620265 0.77 ACHE (0.42) CA3CA6CA5ACA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-20220157484-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-19 US disclosed
EP-3193851-B1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2020-10-21 EP disclosed
EP-3055290-B1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2019-10-02 EP disclosed
US-10202360-B2 Therapeutic compounds CELGENE QUANTICEL RESEARCH, INC. (US) 2019-02-12 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
WO-2017184462-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-10-26 WO disclosed
US-20170298040-A1 THERAPEUTIC COMPOUNDS CELGENE QUANTICEL RESEARCH, INC. 2017-10-19 US disclosed
WO-2017172979-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE ARAXES PHARMA LLC (US) 2017-10-05 WO 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
WO-2016049568-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2016-03-31 WO disclosed
WO-2016044772-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2016-03-24 WO disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
WO-2015054572-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2015-04-16 WO disclosed
US-8110593-B2 Phenoxymethyl imidazoline derivatives and their use as pesticides SYNGENTA CROP PROTECTION LLC (US) 2012-02-07 US disclosed
US-20100120881-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-05-13 US disclosed
EP-2117310-A2 CHEMICAL COMPOUNDS Syngeta Participations AG (CH) 2009-11-18 EP disclosed
WO-2008098657-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2008-08-21 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 (7 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 ERN1 2564/4885CA3 4459/4885CA6 3275/4885
US-10202360-B2 Therapeutic compounds EP300, BRDT, BRPF3 ERN1 982/4885CA3 4463/4885CA6 4177/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ERN1 973/4885CA3 2848/4885CA6 3180/4885
US-20170298040-A1 THERAPEUTIC COMPOUNDS EP300, BRDT, BRPF3 ERN1 982/4885CA3 4463/4885CA6 4177/4885
US-20100120881-A1 CHEMICAL COMPOUNDS AADAC, ACHE, ATL3 ERN1 3767/4885CA3 1203/4885CA6 3142/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ERN1 973/4885CA3 2848/4885CA6 3180/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS ERN1 2401/4885CA3 3801/4885CA6 975/4885

“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.