SCHEMBL1672145

SCHEMBL1672145

C=Cc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.49
PSMB8 P28062 1/20 0.47
NAMPT P43490 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MIF P14174 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAP4K4 O95819 1/20 0.43
MAPT P10636 2/20 0.42
PTPN11 Q06124 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL13055402 0.86 CYP17A1 (0.59) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL418939 0.85 CYP17A1 (0.54) CYP17A1PSMB8NAMPTHDAC3HDAC1
SCHEMBL7139404 0.83 TGM2 (0.59) CYP17A1PSMB8NAMPT
SCHEMBL596259 0.82 HDAC3 (0.50) CYP17A1PSMB8NAMPTHDAC3HDAC1
SCHEMBL27794510 0.82 CYP17A1 (0.51) CYP17A1PSMB8NAMPTHDAC3HDAC1
SCHEMBL596258 0.82 HDAC3 (0.50) CYP17A1PSMB8NAMPTHDAC3HDAC1
SCHEMBL10045883 0.82 HDAC3 (0.50) CYP17A1PSMB8NAMPTHDAC3HDAC1
SCHEMBL14090975 0.81 HDAC3 (0.53) CYP17A1NAMPTHDAC3HDAC1HDAC2
SCHEMBL1922120 0.81 CYP17A1 (0.52) CYP17A1PSMB8NAMPTCA12CA1
SCHEMBL21339831 0.81 MIF (0.52) CYP17A1PSMB8NAMPTHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12544463-B2 Deuterium substituted positron emission tomography (PET) imaging agents and their pharmacological application FIVE ELEVEN PHARMA INC. (US) 2026-02-10 US disclosed
EP-4663637-A2 NOVEL DEUTERIUM SUBSTITUTED POSITRON EMISSION TOMOGRAPHY (PET) IMAGING AGENTS AND THEIR PHARMACOLOGICAL APPLICATION Five Eleven Pharma Inc. (US) 2025-12-17 EP disclosed
US-12297381-B2 Laminate, release agent composition, and method for manufacturing processed semiconductor substrate NISSAN CHEMICAL CORPORATION (JP) 2025-05-13 US disclosed
CN-119735766-A Method for preparing cyclic polymer at high concentration and prepared cyclic polymer 清华大学 2025-04-01 CN disclosed
CN-119735748-A Preparation method of polymer with ring-chain hybridization structure and polymer with ring-chain hybridization structure 清华大学 2025-04-01 CN disclosed
CN-115611781-B New method for preparing alkyl sulfonamide from fatty amine sulfonyl chloride 天津师范大学 2024-03-26 CN disclosed
CN-114539243-B Novel deuterium-substituted Positron Emission Tomography (PET) imaging agent and pharmacological application thereof 五一一制药股份有限公司 2024-01-30 CN disclosed
US-20230295368-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-09-21 US disclosed
US-20230295368-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-09-21 US disclosed
US-20230265325-A1 LAMINATE, RELEASE AGENT COMPOSITION, AND METHOD FOR MANUFACTURING PROCESSED SEMICONDUCTOR SUBSTRATE NISSAN CHEMICAL CORPORATION (JP) 2023-08-24 US disclosed
US-7229574-B2 Method of making novel water-soluble and self-doped polyaniline graft copolymers SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2007-06-12 US disclosed
EP-1602481-B1 Lithographic printing plate precursor FUJIFILM CORP (JP) 2007-05-30 EP disclosed
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2007-02-08 US disclosed
US-20060051524-A1 Hybrid polymer materials for liquid crystal alignment layers ELSICON, INC. 2006-03-09 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
US-6919404-B2 Hybrid polymer materials for liquid crystal alignment layers ELSICON, INC. (US) 2005-07-19 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP disclosed
US-20030232930-A1 Hybrid polymer materials for liquid crystal alignment layers ELSICON, INC. 2003-12-18 US disclosed
WO-2003102045-A1 HYBRID POLYMER MATERIALS FOR LIQUID CRYSTAL ALIGNMENT LAYERS ELSICON, INC. (US) 2003-12-11 WO 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 (4 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-12544463-B2 Deuterium substituted positron emission tomography (PET) imaging agents and their pharmacological application SLC18A2, SLC6A3, SLCO1B3 CYP17A1 1250/4885PSMB8 2596/4885NAMPT 4475/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CYP17A1 1039/4885PSMB8 2153/4885NAMPT 3451/4885
US-20230295368-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT IDH3A, RCOR1, MUS81 CYP17A1 1738/4885PSMB8 935/4885NAMPT 1467/4885
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. GHSR, IGF1R, GIPR CYP17A1 1877/4885PSMB8 963/4885NAMPT 1331/4885

“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.