SCHEMBL5043396

SCHEMBL5043396

CC(C)(C)OC(=O)c1ccc(Br)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
DAO P14920 1/20 0.52
GSK3B P49841 2/20 0.47
ALDH1A1 P00352 6/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 4/20 0.42
PPARG P37231 3/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
HPGD P15428 6/20 0.42
RXFP1 Q9HBX9 3/20 0.42
POLB P06746 3/20 0.42
GAA P10253 1/20 0.42
ESR1 P03372 2/20 0.41
NCOA2 Q15596 2/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 2/20 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
SCHEMBL8549434 0.86 TSHR (0.44) DAOGSK3BALDH1A1NPSR1PPARG
SCHEMBL10918390 0.82 CES2 (0.60) CES2CES1DAOGSK3BALDH1A1
SCHEMBL8549436 0.79 DAO (0.48) DAOALDH1A1KMT2ANPSR1PPARG
SCHEMBL4345360 0.79 DAO (0.53) DAOALDH1A1KMT2AKDM4ENPSR1
SCHEMBL5919206 0.79 LMNA (0.53) GSK3BALDH1A1KDM4ENPSR1PPARG
SCHEMBL70702 0.79 DAO (0.63) CES2CES1DAOGSK3BALDH1A1
SCHEMBL7651777 0.78 CES2 (0.64) CES2CES1DAOGSK3BALDH1A1
SCHEMBL17900427 0.78 GRM6 (0.43) ALDH1A1KDM4ENPSR1PPARGNCOA1
SCHEMBL16942053 0.78 ALDH1A1 (0.39) DAOGSK3BALDH1A1KMT2ANPSR1
SCHEMBL15079224 0.77 GSK3B (0.51) GSK3BALDH1A1KMT2ANPSR1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115087658-A Sulfonamide or sulfenamide compounds having BRD 4-inducing proteolytic activity, and pharmaceutical use thereof 田边三菱制药株式会社 2022-09-20 CN disclosed
US-20220204489-A1 ARYLSULFONYLTHIOPHENECARBOXAMIDES AND ARYLSULFONYLFURANCARBOXAMIDES AS Kv3 POTASSIUM CHANNEL ACTIVATORS H LUNDBECK AS (DK) 2022-06-30 US disclosed
CN-113710318-A Arylsulfonyl thiophenecarboxamides and arylsulfonyl furancarboxamides as Kv3 potassium channel activators H.隆德贝克有限公司 2021-11-26 CN disclosed
WO-2020216919-A1 ARYLSULFONYLTHIOPHENECARBOXAMIDES AND ARYLSULFONYLFURANCARBOXAMIDES AS Kν3 POTASSIUM CHANNEL ACTIVATORS H. LUNDBECK A/S (DK) 2020-10-29 WO disclosed
WO-2020216919-A1 ARYLSULFONYLTHIOPHENECARBOXAMIDES AND ARYLSULFONYLFURANCARBOXAMIDES AS Kν3 POTASSIUM CHANNEL ACTIVATORS H. LUNDBECK A/S (DK) 2020-10-29 WO disclosed
EP-3283464-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-10081617-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-25 US disclosed
US-20180079743-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-22 US disclosed
EP-3283464-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-02-21 EP disclosed
WO-2016168098-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 WO disclosed
US-6344485-B1 Method for treating glaucoma PFIZER INC. 2002-02-05 US disclosed
US-6288120-B1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC. 2001-09-11 US disclosed
US-6124314-A A PROSTAGLANDIN AGONISTS FOR TREATING VERTEBRATE BONE DISORDERS PFIZER INC. (US) 2000-09-26 US disclosed
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP disclosed
EP-1000619-A2 Method for treating glaucoma Pfizer Products Inc. (US) 2000-05-17 EP disclosed
CN-1241176-A Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER (US) 2000-01-12 CN disclosed
EP-0946501-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1999-10-06 EP disclosed
EP-0911321-A2 Compounds for the treatment of osteoporosis PFIZER INC. (US) 1999-04-28 EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO disclosed
WO-1998028264-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1998-07-02 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 (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-20180079743-A1 FACTOR XIa INHIBITORS F11, F2, TFPI CES2 3413/4885CES1 479/4885DAO 1682/4885
US-20220204489-A1 ARYLSULFONYLTHIOPHENECARBOXAMIDES AND ARYLSULFONYLFURANCARBOXAMIDES AS Kv3 POTASSIUM CHANNEL ACTIVATORS KCNA3, KCNN3, KCNK3 CES2 1960/4885CES1 3284/4885DAO 3998/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI CES2 3413/4885CES1 479/4885DAO 1682/4885

“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.