SCHEMBL17030737

SCHEMBL17030737

CC(C)(C)c1c(O)ccc(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
ALOX15 P16050 3/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
LMNA P02545 2/20 0.35
TYR P14679 2/20 0.35
NR1I2 O75469 1/20 0.35
CYP2C9 P11712 1/20 0.35
MIF P14174 1/20 0.35
HTT P42858 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34

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
SCHEMBL12871808 0.80 CES2 (0.37) CES2CES1PRKCZRIPK1
SCHEMBL16498751 0.80 ALDH1A1 (0.43) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL22967752 0.80 ESR1 (0.39) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL20858077 0.79 RIPK1 (0.40) CES2CES1CA3CA6CA5A
SCHEMBL24945815 0.78 DAO (0.35) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL24069516 0.78 CYP3A4 (0.38) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL20858018 0.78 CES2 (0.31) CES2CES1
SCHEMBL22468667 0.77 ALDH1A1 (0.37) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL6232087 0.77 ALDH1A1 (0.37) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL70068 0.77 ALDH1A1 (0.48) ALDH1A1ALOX15HSD17B10TDP1HPGD

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 34 patents — showing the first 20. 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-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS ARAXES PHARMA LLC (US) 2023-05-02 US disclosed
US-20230128824-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-04-27 US disclosed
US-20230128824-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-04-27 US disclosed
US-20230002382-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUNDS Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-01-05 US disclosed
US-20210380595-A1 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS ARAXES PHARMA LLC (US) 2021-12-09 US disclosed
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2021-10-14 US disclosed
US-20210253564-A1 Pyridazine Derivatives as SMARCA2/4 Degraders AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-08-19 US disclosed
US-20180015087-A1 CONJUGATES OF CEREBLON BINDING COMPOUNDS AND G12C MUTANT KRAS, HRAS OR NRAS PROTEIN MODULATING COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-01-18 US disclosed
US-20180015087-A1 CONJUGATES OF CEREBLON BINDING COMPOUNDS AND G12C MUTANT KRAS, HRAS OR NRAS PROTEIN MODULATING COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-01-18 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 US disclosed
US-20170247376-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF RAS ARAXES PHARMA LLC (US) 2017-08-31 US disclosed
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-07-13 US disclosed
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-07-13 US disclosed
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2016-10-13 US disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 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 (14 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 ALDH1A1 3979/4885ALOX15 4646/4885HSD17B10 4087/4885
US-20180015087-A1 CONJUGATES OF CEREBLON BINDING COMPOUNDS AND G12C MUTANT KRAS, HRAS OR NRAS PROTEIN MODULATING COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ALDH1A1 3952/4885ALOX15 4518/4885HSD17B10 4289/4885
US-20230128824-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND KRAS, NRAS, HRAS ALDH1A1 1157/4885ALOX15 4789/4885HSD17B10 3766/4885
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ALDH1A1 3753/4885ALOX15 4880/4885HSD17B10 4813/4885
US-20210380595-A1 2-(2-ACRYLOYL-2,6-DIAZASPIRO[3.4]OCTAN-6-YL)-6-(1H-INDAZOL-4-YL)-BENZONITRILE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF G12C MUTANT KRAS PROTEIN FOR INHIBITING TUMOR METASTASIS KRAS, NRAS, G3BP2 ALDH1A1 1492/4885ALOX15 4780/4885HSD17B10 4629/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 ALDH1A1 3223/4885ALOX15 3479/4885HSD17B10 1768/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4178/4885ALOX15 4573/4885HSD17B10 4752/4885
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS KRAS, NRAS, HRAS ALDH1A1 3346/4885ALOX15 4880/4885HSD17B10 4700/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4178/4885ALOX15 4573/4885HSD17B10 4752/4885
US-20230002382-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUNDS KRAS, NRAS, HRAS ALDH1A1 2597/4885ALOX15 4682/4885HSD17B10 4368/4885
US-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER KRAS, NRAS, HRAS ALDH1A1 1405/4885ALOX15 4476/4885HSD17B10 4113/4885
US-20210253564-A1 Pyridazine Derivatives as SMARCA2/4 Degraders SMARCC1, SMARCC2, SMARCA2 ALDH1A1 1731/4885ALOX15 4072/4885HSD17B10 1657/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS ALDH1A1 1577/4885ALOX15 4380/4885HSD17B10 3657/4885
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ALDH1A1 3333/4885ALOX15 4880/4885HSD17B10 4664/4885

“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.