SCHEMBL408439

SCHEMBL408439

CC(C)(C)OC(=O)Nc1ccc(CBr)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.59
DRD2 P14416 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.49
MAPK14 Q16539 1/20 0.49
GLS O94925 1/20 0.48
NAMPT P43490 3/20 0.47
PSMB8 P28062 1/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
PTPN11 Q06124 1/20 0.45
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
AKT1 P31749 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL3127225 0.87 CYP17A1 (0.57) CYP17A1DRD2PTGDR2MAPK14GLS
SCHEMBL132701 0.86 CYP17A1 (0.76) CYP17A1DRD2PTGDR2MAPK14GLS
SCHEMBL13055402 0.86 CYP17A1 (0.59) CYP17A1DRD2PTGDR2MAPK14NAMPT
SCHEMBL10361607 0.85 CYP17A1 (0.61) CYP17A1DRD2PTGDR2MAPK14NAMPT
SCHEMBL6195004 0.85 CYP17A1 (0.61) CYP17A1DRD2PTGDR2MAPK14GLS
SCHEMBL245094 0.85 CYP17A1 (0.61) CYP17A1DRD2PTGDR2MAPK14GLS
SCHEMBL6407210 0.84 CYP17A1 (0.54) CYP17A1DRD2PTGDR2MAPK14GLS
SCHEMBL7079572 0.83 CYP17A1 (0.52) CYP17A1DRD2PTGDR2MAPK14GLS
SCHEMBL15858111 0.83 CYP17A1 (0.46) CYP17A1DRD2PTGDR2MAPK14GLS
SCHEMBL243856 0.83 CYP17A1 (0.59) CYP17A1DRD2PTGDR2MAPK14GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260125376-A1 IRREVERSIBLE INACTIVATORS TARGETING ARAF/MEK COMPLEXES GERO THOMAS (US) 2026-05-07 US disclosed
EP-4053108-B1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF WUHAN LL SCIENCE & TECHNOLOGY DEVELOPMENT CO LTD (CN) 2026-03-11 EP disclosed
US-20260055063-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF WUHAN LL SCIENCE & TECHNOLOGY DEVELOPMENT CO LTD (CN) 2026-02-26 US disclosed
US-20260021196-A1 HOMOGENEOUS ANTIBODY-CONJUGATES WITH HIGH PAYLOAD LOADING SYNAFFIX BV (NL) 2026-01-22 US disclosed
US-12528785-B2 MDM2 degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2026-01-20 US disclosed
EP-3994125-B1 MODULATORS OF HSD17B13 AND METHODS OF USE THEREOF REGENERON PHARMA (US) 2025-12-24 EP disclosed
US-12503444-B2 Compound containing benzene ring and application thereof WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2025-12-23 US disclosed
EP-4658318-A1 HOMOGENEOUS ANTIBODY-CONJUGATES WITH HIGH PAYLOAD LOADING Synaffix B.V. (NL) 2025-12-10 EP disclosed
EP-4652161-A1 2,4-DIANILINOPYRIMIDINE-BASED AURORA-A KINASE SELECTIVE DEGRADATION INDUCING COMPOUNDS Uppthera, Inc. (KR) 2025-11-26 EP disclosed
US-20250325687-A1 CONJUGATE COMPRISING TOLL-LIKE RECEPTOR AGONIST MABSOFT THERAPEUTICS SHANGHAI CO LTD (CN) 2025-10-23 US disclosed
WO-2011100829-A1 BIFUNCTIONAL CHELATING AGENTS NORDION (CANADA) INC. (CA) 2011-08-25 WO disclosed
WO-2011100829-A1 BIFUNCTIONAL CHELATING AGENTS NORDION (CANADA) INC. (CA) 2011-08-25 WO disclosed
WO-2010132982-A1 TREATMENT OF MUSCLE DISEASE CHARACTERIZED BY INSULIN RESISTANCE OTTAWA HOSPITAL RESEARCH INSTITUTE (CA) 2010-11-25 WO disclosed
US-20060100226-A1 2-Thiopyrimidinones as therapeutic agents ATHEROGENICS, INC. 2006-05-11 US disclosed
WO-2006031806-A2 2-THIOPYRIMIDINONES AS THERAPEUTIC AGENTS ATHEROGENICS, INC. (US) 2006-03-23 WO disclosed
US-6680312-B2 FOR THERAPY OF CARDIAC INFARCTION, CEREBRAL THROMBOSIS; INHIBIT ACTIVATED COAGULATION FACTOR X (FXA) TO SHOW ANTI-COAGULANT ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-01-20 US disclosed
US-20020193382-A1 Sulfonamide derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2002-12-19 US disclosed
US-6403595-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-11 US disclosed
EP-1054005-A1 SULFONAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-11-22 EP disclosed
EP-0589201-A1 Di- and triazindeones MERCK PATENT GmbH (DE) 1994-03-30 EP 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 (8 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-20260055063-A1 COMPOUND CONTAINING BENZENE RING AND APPLICATION THEREOF CNR2, RYR2, CNR1 CYP17A1 657/4885DRD2 1817/4885PTGDR2 262/4885
US-20260021196-A1 HOMOGENEOUS ANTIBODY-CONJUGATES WITH HIGH PAYLOAD LOADING FCGR2A, FCGR3B, FCGR1A CYP17A1 1052/4885DRD2 245/4885PTGDR2 3244/4885
US-20260125376-A1 IRREVERSIBLE INACTIVATORS TARGETING ARAF/MEK COMPLEXES ARAF, BRAF, RAF1 CYP17A1 4431/4885DRD2 4001/4885PTGDR2 3557/4885
US-12528785-B2 MDM2 degraders and uses thereof MDM2, ADRM1, RBX1 CYP17A1 2650/4885DRD2 3318/4885PTGDR2 3582/4885
US-20060100226-A1 2-Thiopyrimidinones as therapeutic agents MAP3K6, MAP3K20, MAP3K7 CYP17A1 2399/4885DRD2 4857/4885PTGDR2 964/4885
US-20020193382-A1 Sulfonamide derivatives, their production and use F12, F11, F2 CYP17A1 575/4885DRD2 1934/4885PTGDR2 1353/4885
US-20250325687-A1 CONJUGATE COMPRISING TOLL-LIKE RECEPTOR AGONIST TLR3, TLR7, TLR8 CYP17A1 3818/4885DRD2 2468/4885PTGDR2 895/4885
US-12503444-B2 Compound containing benzene ring and application thereof P2RX4, P2RX7, P2RX2 CYP17A1 667/4885DRD2 2674/4885PTGDR2 1654/4885

“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.