SCHEMBL5783293

SCHEMBL5783293

COc1c(Cl)cc(Cl)cc1S(=O)(=O)Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.49
ACLY P53396 7/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 1/20 0.46
F2 P00734 3/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL21309558 0.83 ACLY (0.48) ACLYCA1CA2CA9F2
SCHEMBL11272595 0.81 F2 (0.44) ACLYCA1CA2CA9F2
SCHEMBL8763915 0.79 CA1 (0.41) TRPV4ACLYCA1CA2CA9
SCHEMBL30642476 0.78 MAPT (0.42) TRPV4ACLYF2LMNAKDM4E
SCHEMBL21999697 0.78 ACLY (0.48) TRPV4ACLYLMNAKDM4EALDH1A1
SCHEMBL26623953 0.78 MAPT (0.42) TRPV4ACLYF2LMNAKDM4E
SCHEMBL21999818 0.76 ACLY (0.53) TRPV4ACLYCA1CA2CA9
SCHEMBL12263626 0.76 TRPV4 (0.41) TRPV4F2PRSS1PRSS2PRSS3
SCHEMBL21999624 0.76 ACLY (0.53) ACLYKDM4EALDH1A1HPGDTSHR
SCHEMBL31296533 0.76 ACLY (0.53) ACLYKDM4EALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498693-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-10-30 EP disclosed
CN-109790122-B Heterocyclic compounds 武田药品工业株式会社 2022-06-24 CN disclosed
US-10696651-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-30 US disclosed
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. 2020-05-14 US disclosed
EP-3498693-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-06-19 EP disclosed
US-20190169166-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-06-06 US disclosed
EP-1487801-B1 7-ARYLSULFONAMIDO-2,3,4,5-TETRAHYDRO-1H-BENZO¬D|AZEPINE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LTD (GB) 2006-04-19 EP disclosed
US-20050176705-A1 Compounds useful in the treatment of cns disorders SMITHKLINE BEECHAM P.L.C. (GB) 2005-08-11 US disclosed
US-20050090485-A1 7-Arylsulfonamido-2,3,4,5-tetrahydro-1h-benzo'diazepine derivatives with 5ht6 receptor affinity for the reatment of cns disorders GLAXO GROUP LIMITED (GB) 2005-04-28 US disclosed
EP-1487801-A1 7-ARYLSULFONAMIDO-2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003068751-A1 7-ARYLSULFONAMIDO-2,3,4,5-TETRAHYDRO-1H-BENZO'DIAZEPINE DERIVATIVES WITH 5-HT6 RECEPTOR AFFINITY FOR THE REATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
EP-1335722-A2 COMPOUNDS USEFUL IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 2003-08-20 EP disclosed
WO-2002041889-A2 INDOLSULFONYL COMPOUNDS USEFUL IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-30 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 (5 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-20050090485-A1 7-Arylsulfonamido-2,3,4,5-tetrahydro-1h-benzo'diazepine derivatives with 5ht6 receptor affinity for the reatment of cns disorders HTR6, HTR7, HTR2A TRPV4 431/4885ACLY 3820/4885CA1 4215/4885
US-10696651-B2 Heterocyclic compound EIF2AK4, GCN1, GTF2I TRPV4 3890/4885ACLY 3981/4885CA1 4485/4885
US-20050176705-A1 Compounds useful in the treatment of cns disorders SLC18A2, CNR2, TPH2 TRPV4 951/4885ACLY 3510/4885CA1 2133/4885
US-20190169166-A1 HETEROCYCLIC COMPOUND EIF2AK4, GCN1, GTF2I TRPV4 3890/4885ACLY 3981/4885CA1 4485/4885
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG TRPV4 4712/4885ACLY 1/4885CA1 1763/4885

“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.