SCHEMBL6789803

SCHEMBL6789803

CC(C)(C)OC(=O)NCC#Cc1ccc(Br)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.48
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
DDB1 Q16531 2/20 0.39
CRBN Q96SW2 2/20 0.39
NPC1 O15118 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AAK1 Q2M2I8 7/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CPB2 Q96IY4 1/20 0.37
ADRA2A P08913 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
P2RY6 Q15077 1/20 0.36
DGAT1 O75907 1/20 0.36
EGFR P00533 1/20 0.36
RAF1 P04049 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL31017536 1.00 PTPN11 (0.48) PTPN11CTSSCTSKDDB1CRBN
SCHEMBL6794932 0.86 PTPN11 (0.58) PTPN11DDB1CRBNL3MBTL1ADRA2A
SCHEMBL25727149 0.81 PTPN11 (0.54) PTPN11DDB1CRBNL3MBTL1ADRA2A
SCHEMBL25727131 0.81 PTPN11 (0.54) PTPN11DDB1CRBNL3MBTL1ADRA2A
SCHEMBL30463958 0.81 PTPN11 (0.54) PTPN11DDB1CRBNL3MBTL1ADRA2A
SCHEMBL30463945 0.81 PTPN11 (0.54) PTPN11DDB1CRBNL3MBTL1ADRA2A
SCHEMBL6789320 0.81 ACACB (0.41) NPC1RAB9A
SCHEMBL6790953 0.81 ALDH1A1 (0.41) NPC1RAB9A
SCHEMBL29691832 0.80 PTPN11 (0.67) PTPN11CTSSCTSKDDB1CRBN
SCHEMBL6795777 0.78 LMNA (0.44) CTSSCTSKNPC1RAB9ASMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425517-A1 NOVEL COMPOUND FOR DEGRADATION OF TARGET PROTEIN OR POLYPEPTIDE BY POLYUBIQUITINATION PRAZER THERAPEUTICS INC. (KR) 2024-12-26 US disclosed
EP-4450490-A1 NOVEL COMPOUND FOR DEGRADING TARGET PROTEIN OR POLYPEPTIDE BY USING POLYUBIQUITINATION Prazer Therapeutics Inc. (KR) 2024-10-23 EP disclosed
EP-3978472-B1 BIARYL MONABACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2024-10-16 EP disclosed
WO-2023113457-A1 NOVEL COMPOUND FOR DEGRADING TARGET PROTEIN OR POLYPEPTIDE BY USING POLYUBIQUITINATION (주)프레이저테라퓨틱스 2023-06-22 WO disclosed
WO-2023113457-A1 NOVEL COMPOUND FOR DEGRADING TARGET PROTEIN OR POLYPEPTIDE BY USING POLYUBIQUITINATION (주)프레이저테라퓨틱스 2023-06-22 WO disclosed
EP-3978472-A1 BIARYL MONABACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2022-04-06 EP disclosed
US-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections MERCK SHARP & DOHME CORP. (US) 2022-01-25 US disclosed
US-6706885-B2 HYDROGENATION OF PROTECTED 2,5-DI-(3'-AMINOPROP-1-YNYL) PYRIDINES AND DEPROTECTING TO FORM 2,5-DI-(3'-AMINOPROPYL)-PYRIDINES MERCK & CO., INC. 2004-03-16 US disclosed
US-20030004353-A1 Process for preparing integrin antagonist intermediates MERCK SHARP & DOHME CORP. 2003-01-02 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 (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-20240425517-A1 NOVEL COMPOUND FOR DEGRADATION OF TARGET PROTEIN OR POLYPEPTIDE BY POLYUBIQUITINATION ADRM1, SUMO1, SUMO2 PTPN11 3718/4885CTSS 1074/4885CTSK 1053/4885
US-20030004353-A1 Process for preparing integrin antagonist intermediates ITGA5, ITGAV, ITGA2 PTPN11 3250/4885CTSS 2951/4885CTSK 3015/4885
US-11230543-B2 Biaryl monobactam compounds and methods of use thereof for the treatment of bacterial infections SQLE, ABCB11, BMX PTPN11 2551/4885CTSS 2545/4885CTSK 2080/4885

“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.