SCHEMBL4056065

SCHEMBL4056065

CS(=O)(=O)OCCc1ccc(Br)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.38
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
MMP9 P14780 1/20 0.35
ALOX15 P16050 1/20 0.35
APLNR P35414 1/20 0.34
MCHR1 Q99705 5/20 0.33
GRM2 Q14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
KCNH2 Q12809 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
MBOAT4 Q96T53 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL30047078 0.83 GBA1 (0.40) GBA1ALDH1A1KDM4EAPLNRMCHR1
SCHEMBL1126532 0.83 GBA1 (0.40) GBA1ALDH1A1KDM4EAPLNRMCHR1
SCHEMBL1162383 0.79 HRH3 (0.47) ALDH1A1KDM4ETSHRLMNAUSP2
SCHEMBL15612500 0.78 GBA1 (0.41) GBA1ALDH1A1KDM4ELMNAAPLNR
SCHEMBL1817841 0.78 GBA1 (0.43) GBA1ALDH1A1KDM4ETSHRGRM2
SCHEMBL14894142 0.77 ALDH1A1 (0.37) ALDH1A1KDM4EAPLNRMBOAT4
SCHEMBL15526300 0.76 SLC22A12 (0.41) ALDH1A1KDM4ETSHRLMNAUSP2
SCHEMBL12837851 0.75 GBA1 (0.41) GBA1ALDH1A1KDM4ETSHRAPLNR
SCHEMBL23515097 0.74 ALDH1A1 (0.40) GBA1ALDH1A1KDM4ETSHRLMNA
SCHEMBL1422315 0.74 CA1 (0.43) ALDH1A1KDM4ETSHRLMNAUSP2

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-20250092032-A1 DEOXYCYTIDINE KINASE INHIBITORS INSTITUT JEAN PAOLI & IRENE CALMETTES CENTRE REGIONAL DE LUTTE CONTRE LE CANCER (FR) 2025-03-20 US disclosed
EP-3953356-B1 HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-07-26 EP disclosed
US-20220340597-A1 HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-10-27 US disclosed
EP-3953356-A1 HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2022-02-16 EP disclosed
WO-2020207991-A1 HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-10-15 WO disclosed
WO-2020064175-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION ANTABIO SAS (FR) 2020-04-02 WO disclosed
EP-3628672-A1 INDANE DERIVATIVES FOR USE IN THE TREATMENT OF BACTERIAL INFECTION Antabio SAS (FR) 2020-04-01 EP disclosed
WO-2009111501-A1 DERIVATIVES OF IMIDAZO [4, 5-D] PYRIDAZINE AND THEIR USE AS ANTI-VIRAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 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 (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-20220340597-A1 HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, IL5, REN GBA1 77/4885ALDH1A1 288/4885KDM4E 2587/4885
US-20250092032-A1 DEOXYCYTIDINE KINASE INHIBITORS DCK, DTYMK, TYMP GBA1 2650/4885ALDH1A1 1400/4885KDM4E 689/4885

“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.