SCHEMBL22590

SCHEMBL22590

CC(C)(C)OC(=O)Nc1cc[c]cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.50
PSMB8 P28062 1/20 0.48
NAMPT P43490 1/20 0.48
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
MAP4K4 O95819 1/20 0.44
PTPN11 Q06124 1/20 0.42
MAPKAPK2 P49137 2/20 0.41
DRD2 P14416 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
LIPE Q05469 1/20 0.41
MAPK14 Q16539 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL6607121 0.92 CYP17A1 (0.58) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL13055402 0.88 CYP17A1 (0.59) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL23619661 0.82 SMN1; SMN2 (0.62) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL20865536 0.82 CYP17A1 (0.68) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL775002 0.82 NAMPT (0.56) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL1196294 0.82 SMN1; SMN2 (0.61) SMN1; SMN2
SCHEMBL693943 0.82 CYP17A1 (0.59) CYP17A1
Water SCHEMBL27835379 0.81 PSMB8 (0.52) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL359513 0.81 NAMPT (0.46) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL1455948 0.81 CYP17A1 (0.54) CYP17A1PSMB8NAMPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924160-A Pyridine fluorescent probe for in-vitro rapid detection of gamma-glutamyl transpeptidase and preparation method and application thereof 赣南医学院 2024-04-26 CN claimed
CN-117396477-A Pyridyl-substituted oxoisoindoline compounds for the treatment of cancer 百时美施贵宝公司 2024-01-12 CN claimed
CN-113461636-B Benzothiazole-containing phenylalanine derivative and preparation method and application thereof 山东大学 2023-08-08 CN claimed
CN-116462671-A N- (tert-butyl) -2- (N-acetamido) formamide compound and preparation method and application thereof 陕西盘龙药业集团股份有限公司 2023-07-21 CN claimed
CN-115611781-A Novel method for preparing alkyl sulfonamide from fatty amine sulfonyl chloride 天津师范大学 2023-01-17 CN claimed
EP-3218374-B1 SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF BROMODOMAIN GENENTECH INC (US) 2021-12-29 EP claimed
CN-113461636-A Benzothiazole-containing phenylalanine derivative and preparation method and application thereof 山东大学 2021-10-01 CN claimed
CN-107108614-B Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2021-06-01 CN claimed
EP-3241829-B1 HETEROARYLPIPERIDINE AND -PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2020-12-23 EP claimed
US-10150767-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2018-12-11 US claimed
US-7582629-B2 Derivatives of isothiazol-3(2H)-one 1,1-dioxides as liver X receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US claimed
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators ASTRAZENECA AB (SE) 2008-10-16 US claimed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO claimed
CN-101137630-A Non-anilinic derivatives of isothiazol-3(2h)-thione 1,1-dioxides as liver x receptor modulators ASTRAZENECA AB (SE) 2008-03-05 CN claimed
EP-1838686-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 EP claimed
WO-2006073363-A1 DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 WO claimed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US claimed
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP claimed
US-20020173507-A1 Urea compounds and methods of uses AMGEN INC. 2002-11-21 US claimed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX CYP17A1 2641/4885PSMB8 3054/4885NAMPT 365/4885
US-10150767-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRPF3 CYP17A1 1268/4885PSMB8 2678/4885NAMPT 549/4885
US-20080255122-A1 Derivatives of Isothiazol-3(2H)-One 1,1-Dioxides as Liver X Receptor Modulators NR1H2, NR1H3, NR1I2 CYP17A1 102/4885PSMB8 2680/4885NAMPT 3226/4885

“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.