SCHEMBL4327979

SCHEMBL4327979

O=C(O)/C(=C/c1ccccc1)CBr

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
AKR1C3 P42330 1/20 0.55
RECQL P46063 1/20 0.52
AKR1C1 Q04828 1/20 0.48
HTT P42858 1/20 0.46
MME P08473 2/20 0.45
PTPN1 P18031 1/20 0.43
GSK3B P49841 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 1/20 0.42
FBP1 P09467 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
OPRK1 P41145 1/20 0.40
GRIK1 P39086 1/20 0.40
HAO1 Q9UJM8 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL8041928 1.00 CYP3A4 (0.63) CYP3A4CYP2C9AKR1C3RECQLAKR1C1
SCHEMBL781849 1.00 CYP3A4 (0.63) CYP3A4CYP2C9AKR1C3RECQLAKR1C1
SCHEMBL8865069 0.89 TP53 (0.59) CYP3A4CYP2C9AKR1C3RECQLAKR1C1
SCHEMBL8865055 0.89 TP53 (0.59) CYP3A4CYP2C9AKR1C3RECQLAKR1C1
SCHEMBL8864851 0.84 CYP3A4 (0.47) CYP3A4CYP2C9AKR1C3HTTMEN1
SCHEMBL8864844 0.84 CYP3A4 (0.47) CYP3A4CYP2C9AKR1C3HTTMEN1
SCHEMBL2347233 0.84 CYP3A4 (0.50) CYP3A4CYP2C9AKR1C3RECQLAKR1C1
SCHEMBL8575022 0.84 CYP3A4 (0.59) CYP3A4CYP2C9AKR1C3RECQLAKR1C1
SCHEMBL7826083 0.84 CYP3A4 (0.47) CYP3A4CYP2C9AKR1C3RECQLAKR1C1
SCHEMBL7826086 0.84 CYP3A4 (0.47) CYP3A4CYP2C9AKR1C3RECQLAKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113999154-B Compound and preparation method and application thereof 国药东风总医院 2023-03-21 CN claimed
CN-113999154-A Compound and preparation method and application thereof 国药东风总医院 2022-02-01 CN claimed
EP-3880666-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-06-28 EP disclosed
CN-113999154-B Compound and preparation method and application thereof 国药东风总医院 2023-03-21 CN disclosed
CN-113999154-B Compound and preparation method and application thereof 国药东风总医院 2023-03-21 CN disclosed
US-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-26 US disclosed
CN-113999154-A Compound and preparation method and application thereof 国药东风总医院 2022-02-01 CN disclosed
CN-113999154-A Compound and preparation method and application thereof 国药东风总医院 2022-02-01 CN disclosed
WO-2020102100-A9 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2022-01-06 WO disclosed
EP-3880666-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
CN-113166081-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-07-23 CN disclosed
US-7585997-B2 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CHESTERFORD ENTERPRISES LIMITED (KY) 2009-09-08 US disclosed
EP-1709155-A4 COMPOUNDS AND COMPOSITIONS FOR TREATING DYSPROLIFERATIVE DISEASES, AND METHODS OF USE THEREOF KASHFI KHOSROW (US) 2007-10-31 EP disclosed
EP-1709155-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING DYSPROLIFERATIVE DISEASES, AND METHODS OF USE THEREOF Kashfi, Khosrow (US) 2006-10-11 EP disclosed
US-20050182134-A1 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof CONVERSANT INTELLECTUAL PROPERTY MANAGEMENT INC. (CA) 2005-08-18 US disclosed
WO-2005065361-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING DYSPROLIFERATIVE DISEASES, AND METHODS OF USE THEREOF KASHFI KHOSROW (US) 2005-07-21 WO disclosed
EP-1000024-A1 MERCAPTOACYLAMINO ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-05-17 EP disclosed
WO-1999006365-A1 MERCAPTOACYLAMINO ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-02-11 WO disclosed
US-5646313-A PREPARING ENKEPHALINASE INHIBITORS SOCIETE CIVILE BIOPROJET (FR) 1997-07-08 US disclosed
US-5612371-A ENZYME INHIBITORS SOCIETE CIVILE BIOPROJECT (FR) 1997-03-18 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 (2 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-20230024859-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CYP3A4 2521/4885CYP2C9 3399/4885AKR1C3 1506/4885
US-20050182134-A1 Compounds and compositions for treating dysproliferative diseases, and methods of use thereof PYGL, TP53, MKI67 CYP3A4 3652/4885CYP2C9 4349/4885AKR1C3 1147/4885

“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.