SCHEMBL20132840

SCHEMBL20132840

CC(C)(C)c1ccc(COP(=O)(O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.51
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
ESRRG P62508 3/20 0.47
ESRRB O95718 1/20 0.46
EPHX2 P34913 6/20 0.45
NR1H4 Q96RI1 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ANPEP P15144 1/20 0.45
ERAP2 Q6P179 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 2/20 0.45
APP P05067 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL17345002 0.84 TSHR (0.58) MEN1KMT2ANPC1RAB9ATSHR
SCHEMBL28852147 0.81 IDO1 (0.53) KMT2ATSHR
SCHEMBL20850559 0.80 ACP3 (0.44) NR4A2RXRARXRBNR1H4HDAC3
SCHEMBL19116150 0.79 PTPN2 (0.47) NR4A2RXRARXRBESRRGESRRB
SCHEMBL207268 0.79 RAB9A (0.53) NPC1RAB9AMAPTLMNATSHR
SCHEMBL8384625 0.78 TSHR (0.52) MEN1KMT2ALMNATSHR
SCHEMBL28365963 0.76 TSHR (0.50) TSHR
SCHEMBL17746165 0.76 TSHR (0.48) NR4A2RXRARXRBESRRGESRRB
SCHEMBL8389200 0.76 NPC1 (0.53) NPC1RAB9AANPEPERAP2MAPT
SCHEMBL27599814 0.76 TSHR (0.55) NPC1RAB9AMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS ARAXES PHARMA LLC (US) 2023-05-02 US disclosed
US-11358959-B2 Benzothiophene and benzothiazole compounds and methods of use thereof ARAXES PHARMA LLC (US) 2022-06-14 US disclosed
US-11279689-B2 1-(3-(6-(3-hydroxynaphthalen-1-yl)benzofuran-2-yl)azetidin-1 yl)prop-2-en-1-one derivatives and similar compounds as KRAS G12C modulators for treating cancer ARAXES PHARMA LLC (US) 2022-03-22 US disclosed
US-11136308-B2 Substituted quinazoline and quinazolinone compounds and methods of use thereof ARAXES PHARMA LLC (US) 2021-10-05 US disclosed
US-11059819-B2 Fused hetero-hetero bicyclic compounds and methods of use thereof JANSSEN BIOTECH, INC. (US) 2021-07-13 US disclosed
US-20210179612-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-17 US disclosed
US-10723738-B2 Inhibitors of KRAS G12C mutant proteins ARAXES PHARMA LLC (US) 2020-07-28 US disclosed
US-20200062761-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2020-02-27 US disclosed
US-20190345158-A1 FUSED HETERO-HETERO BICYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2019-11-14 US disclosed
US-10377743-B2 Inhibitors of RAS and methods of use thereof ARAXES PHARMA LLC (US) 2019-08-13 US disclosed
US-10280172-B2 Inhibitors of KRAS G12C mutant proteins ARAXES PHARMA LLC (US) 2019-05-07 US disclosed
US-20180155348-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2018-06-07 US disclosed
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-05-10 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 (13 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-20180155348-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS NR4A2 2119/4885RXRA 2107/4885RXRB 1333/4885
US-10723738-B2 Inhibitors of KRAS G12C mutant proteins KRAS, NRAS, HRAS NR4A2 2189/4885RXRA 2254/4885RXRB 1439/4885
US-10377743-B2 Inhibitors of RAS and methods of use thereof KRAS, NRAS, HRAS NR4A2 3626/4885RXRA 2284/4885RXRB 1653/4885
US-20200062761-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS NR4A2 2189/4885RXRA 2254/4885RXRB 1439/4885
US-11059819-B2 Fused hetero-hetero bicyclic compounds and methods of use thereof KRAS, NRAS, HRAS NR4A2 2735/4885RXRA 2022/4885RXRB 1971/4885
US-11358959-B2 Benzothiophene and benzothiazole compounds and methods of use thereof KRAS, NRAS, RB1 NR4A2 894/4885RXRA 1671/4885RXRB 1241/4885
US-11639346-B2 Quinazoline derivatives as modulators of mutant KRAS, HRAS or NRAS KRAS, NRAS, HRAS NR4A2 1674/4885RXRA 870/4885RXRB 965/4885
US-20190345158-A1 FUSED HETERO-HETERO BICYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS NR4A2 2735/4885RXRA 2022/4885RXRB 1971/4885
US-20210179612-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 NR4A2 4047/4885RXRA 4386/4885RXRB 3846/4885
US-11136308-B2 Substituted quinazoline and quinazolinone compounds and methods of use thereof KRAS, NRAS, HRAS NR4A2 2287/4885RXRA 2763/4885RXRB 2306/4885
US-10280172-B2 Inhibitors of KRAS G12C mutant proteins KRAS, NRAS, HRAS NR4A2 2119/4885RXRA 2107/4885RXRB 1333/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS NR4A2 3602/4885RXRA 2320/4885RXRB 1675/4885
US-11279689-B2 1-(3-(6-(3-hydroxynaphthalen-1-yl)benzofuran-2-yl)azetidin-1 yl)prop-2-en-1-one derivatives and similar compounds as KRAS G12C modulators for treating cancer KRAS, NRAS, HRAS NR4A2 1560/4885RXRA 3121/4885RXRB 2631/4885

“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.