Sugi Predict

Sugi Predict / Compounds / SCHEMBL17030746

SCHEMBL17030746

SCHEMBL17030746

CC(C)(C)c1c(F)cccc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.42
▸ CES1 P23141 3/20 0.42
▸ BCHE P06276 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ ALB P02768 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PARP1 P09874 3/20 0.39
▸ PBRM1 Q86U86 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ DGAT1 O75907 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TNIK Q9UKE5 1/20 0.38
▸ CD38 P28907 1/20 0.37

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
SCHEMBL3628103 0.86 KDM4E (0.46) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL2584583 0.83 PARP1 (0.44) CES2CES1BCHEMAPTHTT
SCHEMBL10222518 0.83 ALB (0.55) CES2CES1BCHEALBALDH1A1
SCHEMBL22024141 0.83 RIPK1 (0.40) CES2CES1BCHEMAPTHTT
SCHEMBL21891955 0.81 CES2 (0.42) CES2CES1BCHEMAPTALB
SCHEMBL17833920 0.81 CES2 (0.34) CES2CES1BCHEMAPTALB
SCHEMBL22023652 0.79 PARP1 (0.42) MAPTHTTALDH1A1KDM4EHPGD
SCHEMBL28819980 0.79 CA2 (0.43) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL5506244 0.79 MMP2 (0.41) MAPTALDH1A1KDM4EHPGDTSHR
SCHEMBL22023672 0.79 GAA (0.62) CES2CES1BCHEMAPTALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents ENANTA PHARMACEUTICALS, INC. 2023-10-31 — — US disclosed
US-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 — — 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-20210292320-A1 FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2021-09-23 — — US disclosed
US-20210188869-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2021-06-24 — — US disclosed
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2021-02-23 — — US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 — — US disclosed
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2020-04-02 — — US disclosed
US-10011600-B2 Methods and compositions for inhibition of Ras ARAXES PHARMA LLC (US) 2018-07-03 — — 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-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 (11 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-20210188869-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CES2 4879/4885CES1 3492/4885BCHE 4052/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS CES2 3687/4885CES1 1974/4885BCHE 3427/4885
US-20210292320-A1 FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS HAVCR2, HDGF, HCCS CES2 3034/4885CES1 1082/4885BCHE 1576/4885
US-11802125-B2 Functionalized heterocyclic compounds as antiviral agents HAVCR2, HDGF, HCCS CES2 3034/4885CES1 1082/4885BCHE 1576/4885
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CES2 4845/4885CES1 3347/4885BCHE 3787/4885
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 CES2 4883/4885CES1 4153/4885BCHE 4407/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CES2 4879/4885CES1 3492/4885BCHE 4052/4885
US-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF CES2 3420/4885CES1 1275/4885BCHE 1738/4885
US-10011600-B2 Methods and compositions for inhibition of Ras KRAS, NRAS, HRAS CES2 4559/4885CES1 2445/4885BCHE 2695/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF CES2 3420/4885CES1 1275/4885BCHE 1738/4885

“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.