SCHEMBL4798355

SCHEMBL4798355

OCCc1ccc(Br)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.44
PYCR1 P32322 1/20 0.41
CHEK1 O14757 1/20 0.40
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HSP90AA1 P07900 1/20 0.38
TLR9 Q9NR96 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL6542411 0.84 CHEK1 (0.41) ALOX15CHEK1MAPK1ALDH1A1HPGD
SCHEMBL29710612 0.82 CHEK1 (0.40) ALOX15CHEK1MAPK1TDP1HSP90AA1
SCHEMBL1569443 0.82 CHEK1 (0.40) ALOX15CHEK1MAPK1TDP1HSP90AA1
SCHEMBL98244 0.81 ALOX15 (0.48) ALOX15PYCR1CHEK1MAPK1TDP1
SCHEMBL10831466 0.79 PYCR1 (0.42) ALOX15PYCR1MAPK1TDP1HSP90AA1
SCHEMBL17429675 0.78 SMN1; SMN2 (0.37) ALOX15TDP1HSP90AA1ALDH1A1L3MBTL1
SCHEMBL3634811 0.78 PYCR1 (0.44) ALOX15PYCR1MAPK1HSP90AA1ALDH1A1
SCHEMBL2540684 0.78 KDM4E (0.38) ALOX15CHEK1MAPK1ALDH1A1MAPT
SCHEMBL5826 0.78 PDPK1 (0.48) PYCR1CHEK1
SCHEMBL5820 0.78 PYCR1 (0.45) PYCR1CHEK1ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246977-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHOD OF USE BEONE MEDICINES I GMBH (CH) 2024-07-25 US disclosed
CN-116981675-A Degradation of Bruton's Tyrosine Kinase (BTK) by conjugation of BTK inhibitors to E3 ligase ligands and methods of use 百济神州有限公司 2023-10-31 CN disclosed
WO-2022143856-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2022-07-07 WO disclosed
WO-2022143856-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEIGENE, LTD. (KY) 2022-07-07 WO disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
WO-2019076343-A1 PD-1/PD-L1 SMALL-MOLECULE INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海长森药业有限公司 2019-04-25 WO disclosed
US-7342031-B2 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-11 US disclosed
US-20060014962-A1 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-19 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-20060014962-A1 Thiadiazole compound and use thereof CBR3, TH, CYP2E1 ALOX15 537/4885PYCR1 662/4885CHEK1 2218/4885
US-20240246977-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHOD OF USE BTK, CBL, SYK ALOX15 4304/4885PYCR1 3659/4885CHEK1 287/4885

“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.