SCHEMBL798087

SCHEMBL798087

CC(C)(C)c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.50
ACHE P22303 3/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC2 Q92769 1/20 0.46
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
EGFR P00533 1/20 0.41
TNNI3K Q59H18 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
PLA2G1B P04054 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL25094229 0.89 KIF11 (0.51) KIF11ACHEHDAC8HDAC4HDAC2
SCHEMBL5181504 0.85 LMNA (0.53) KIF11ACHEHDAC8HDAC4HDAC2
SCHEMBL10176227 0.84 HDAC8 (0.47) KIF11ACHEHDAC8HDAC4HDAC2
SCHEMBL12157465 0.84 KIF11 (0.48) KIF11ACHECA1CA2ALDH1A1
SCHEMBL4631894 0.84 KIF11 (0.51) KIF11CA1CA2LOXMMP1
SCHEMBL24543093 0.83 ACHE (0.44) KIF11ACHEHDAC8HDAC4HDAC2
SCHEMBL2217011 0.82 ALDH1A1 (0.46) KIF11ACHEHDAC8HDAC4HDAC2
SCHEMBL7427764 0.82 ALDH1A1 (0.52) KIF11ACHEHDAC8HDAC4HDAC2
SCHEMBL12025007 0.82 CA2 (0.61) HDAC8HDAC4HDAC2CA1CA2
SCHEMBL862931 0.82 CA1 (0.61) KIF11CA1CA2ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-20230339871-A1 COMPOUNDS AND METHODS OF MODULATING 17B-HYDROXYSTEROID DEHYDROGENASE TYPE 13 METREA BIOSCIENCES INC (US) 2023-10-26 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230167099-A1 NEW PYRAZINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-01 US disclosed
US-20230167099-A1 NEW PYRAZINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-01 US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 WO disclosed
US-7390810-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-24 US disclosed
US-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
US-20080108626-A1 (5-amino-1-phenyl-1H-pyrazole)-(3-Amino-N-isoxazol-3-yl-4-methyl)-benzamide; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-7351735-B2 Benzofuran and benzothiophene derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-04-01 US disclosed
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto NEUROCRINE BIOSCIENCES, INC. 2007-12-13 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-20230167099-A1 NEW PYRAZINE COMPOUND EGFR, ERBB2, WEE1 KIF11 145/4885ACHE 4716/4885HDAC8 2913/4885
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF KIF11 3998/4885ACHE 4819/4885HDAC8 3806/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 KIF11 4230/4885ACHE 3492/4885HDAC8 695/4885
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto CRHR1, CRHR2, CRH KIF11 4772/4885ACHE 2670/4885HDAC8 2924/4885
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis CFTR, ABCC8, ABCB1 KIF11 4792/4885ACHE 4701/4885HDAC8 3795/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 KIF11 2928/4885ACHE 3162/4885HDAC8 357/4885
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF KIF11 4307/4885ACHE 4333/4885HDAC8 233/4885
US-20080108626-A1 (5-amino-1-phenyl-1H-pyrazole)-(3-Amino-N-isoxazol-3-yl-4-methyl)-benzamide; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease MAPK1, MAPK3, TNF KIF11 3630/4885ACHE 1535/4885HDAC8 959/4885
US-20230339871-A1 COMPOUNDS AND METHODS OF MODULATING 17B-HYDROXYSTEROID DEHYDROGENASE TYPE 13 HSD17B1, HSD17B13, HSD17B11 KIF11 3161/4885ACHE 2370/4885HDAC8 832/4885
US-20080113985-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 KIF11 4577/4885ACHE 4616/4885HDAC8 3179/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS KIF11 3487/4885ACHE 3695/4885HDAC8 1199/4885

“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.