SCHEMBL9906396

SCHEMBL9906396

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
GRIA4 P48058 4/20 0.46
LMNA P02545 2/20 0.46
HSD11B1 P28845 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 1/20 0.44
GMNN O75496 1/20 0.44
DRD1 P21728 1/20 0.44
DRD3 P35462 1/20 0.44
CCR2 P41597 1/20 0.44
RAB9A P51151 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
SCHEMBL20710629 0.89 ALDH1A1 (0.50) ALDH1A1GRIA4LMNAHSD11B1GAA
SCHEMBL10060475 0.83 ALDH1A1 (0.40) ALDH1A1GAAMAPTSMN1; SMN2TP53
SCHEMBL751561 0.81 ALDH1A1 (0.55) ALDH1A1LMNAHSD11B1GAAMAPT
SCHEMBL10157181 0.81 CA1 (0.53) ALDH1A1HSD11B1MAPTCA1CA2
SCHEMBL30227125 0.81 ALDH1A1 (0.55) ALDH1A1LMNAHSD11B1GAAMAPT
SCHEMBL11326333 0.80 ALDH1A1 (0.50) ALDH1A1GRIA4LMNAHSD11B1GAA
SCHEMBL14443232 0.80 NPC1 (0.45) ALDH1A1GRIA4LMNAHSD11B1MAPT
SCHEMBL8745537 0.79 ALDH1A1 (0.53) ALDH1A1GRIA4LMNAHSD11B1GAA
SCHEMBL10179517 0.78 ALDH1A1 (0.52) ALDH1A1LMNAHSD11B1GAAMAPT
SCHEMBL14209084 0.77 HSD11B1 (0.62) HSD11B1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858879-B2 PARG inhibitors and method of use thereof CITY OF HOPE (US) 2024-01-02 US disclosed
US-11858879-B2 PARG inhibitors and method of use thereof CITY OF HOPE (US) 2024-01-02 US disclosed
US-11718641-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11718641-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-20230212195-A1 COMPOUNDS, CONJUGATES, AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-07-06 US disclosed
US-11535634-B2 Compounds, conjugates, and compositions of epipolythiodiketopiperazines and polythiodiketopiperazines and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-12-27 US disclosed
US-20220002231-A1 PARG INHIBITORS AND METHOD OF USE THEREOF CITY OF HOPE 2022-01-06 US disclosed
US-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2021-08-03 US disclosed
US-10968249-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-04-06 US disclosed
US-20210009594-A1 5-5 FUSED RINGS AS C5a INHIBITORS CHEMOCENTRYX, INC. 2021-01-14 US disclosed
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers MERCK PATENT GMBH (DE) 2014-11-13 US disclosed
US-20140315784-A1 Binding Inhibitors of the Beta. Transducin Repeat-Containing Protein ITI SCOTLAND LIMITED (GB) 2014-10-23 US disclosed
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-09-27 US disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 US disclosed
US-8198273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-06-12 US disclosed
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor PLEXXIKON, INC. 2010-11-11 US disclosed
US-7550458-B2 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-7550458-B2 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 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-20220002231-A1 PARG INHIBITORS AND METHOD OF USE THEREOF PARG, PARP12, PARP15 ALDH1A1 1104/4885GRIA4 3648/4885LMNA 864/4885
US-20230212195-A1 COMPOUNDS, CONJUGATES, AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES AND USES THEREOF DNPEP, DHPS, NPEPPS ALDH1A1 2862/4885GRIA4 1777/4885LMNA 3290/4885
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 ALDH1A1 3267/4885GRIA4 992/4885LMNA 1886/4885
US-20100286142-A1 Compounds and Methods for Kinase Modulation, and Indications Therefor BRAF, ARAF, RAF1 ALDH1A1 999/4885GRIA4 4672/4885LMNA 3118/4885
US-11535634-B2 Compounds, conjugates, and compositions of epipolythiodiketopiperazines and polythiodiketopiperazines and uses thereof DNPEP, DHPS, NPEPPS ALDH1A1 2862/4885GRIA4 1777/4885LMNA 3290/4885
US-11078214-B2 Monocyclic thieno, pyrido, and pyrrolo pyrimidine compounds and methods of use and manufacture of same DPYD, TYMS, THPO ALDH1A1 1608/4885GRIA4 3548/4885LMNA 3729/4885
US-20210009594-A1 5-5 FUSED RINGS AS C5a INHIBITORS C5AR1, C5AR2, C3AR1 ALDH1A1 3141/4885GRIA4 1439/4885LMNA 3347/4885
US-11718641-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 ALDH1A1 2372/4885GRIA4 579/4885LMNA 4348/4885
US-20120245174-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, RAF1 ALDH1A1 999/4885GRIA4 4672/4885LMNA 3118/4885
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function VDR, ESRRB, NR5A1 ALDH1A1 3634/4885GRIA4 1173/4885LMNA 3299/4885
US-20140315784-A1 Binding Inhibitors of the Beta. Transducin Repeat-Containing Protein TARDBP, EPS15, TTC14 ALDH1A1 4600/4885GRIA4 2966/4885LMNA 3039/4885
US-10968249-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 ALDH1A1 2372/4885GRIA4 579/4885LMNA 4348/4885
US-11858879-B2 PARG inhibitors and method of use thereof PARG, PARP12, PARP15 ALDH1A1 1104/4885GRIA4 3648/4885LMNA 864/4885

“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.