SCHEMBL6431070

SCHEMBL6431070

O=C(O)C1=Nc2ccccc2S(=O)(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.42
CA2 P00918 8/20 0.42
CA9 Q16790 8/20 0.42
CA4 P22748 5/20 0.42
CA7 P43166 5/20 0.42
CA1 P00915 4/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
BCHE P06276 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
HSD11B1 P28845 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL20777648 0.85 CA12 (0.41) CA12CA2CA9CA4CA7
SCHEMBL20773595 0.85 CA12 (0.41) CA12CA2CA9CA4CA7
SCHEMBL9606078 0.78 CHEK1 (0.44) CA12CA2CA9CA4CA7
SCHEMBL9604292 0.78 CA2 (0.36) CA12CA2CA9CA4CA7
SCHEMBL9604869 0.78 CA2 (0.42) CA12CA2CA9CA4CA7
SCHEMBL24086549 0.78 CHEK1 (0.44) CA12CA2CA9CA4CA7
SCHEMBL20777728 0.78 CA2 (0.36) CA12CA2CA9CA4CA7
SCHEMBL7352874 0.77 TSHR (0.42) CA12CA2CA9CA7CA1
SCHEMBL24086538 0.76 TACR1 (0.40) KDM4ELMNA
SCHEMBL20777761 0.76 FOLH1 (0.39) CA12CA2CA9CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family CTXT PTY LIMITED (AU) 2021-12-09 US disclosed
WO-2019043139-A1 FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY CTXT PTY LIMITED (AU) 2019-03-07 WO disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
US-20050182047-A1 Treatment of demyelinating disorders EISAI CO., LTD. (JP) 2005-08-18 US disclosed
US-20050130979-A1 2,3-dihydroxy-6-nitro-7-sulfamoyl-benzo(F)quinoxaline (NBQX) or the quinoxalinedione is 9-methyl-amino-6-nitro-hexahydro-benzo(F) quinoxalinedione (PNQX) for treating demyelinating disorders EISAI CO., LTD. (JP) 2005-06-16 US disclosed
US-20040204347-A1 Treatment of demyelinating disorders EISAI CO., LTD. (JP) 2004-10-14 US disclosed
EP-1100504-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR USES FOR TREATMENT OF DEMYELINATING DISORDERS Eisai Co., Ltd. (JP) 2001-05-23 EP disclosed
WO-2000001376-A2 PHARMACEUTICAL COMPOSITIONS AND THEIR USES FOR TREATMENT OF DEMYELINATING DISORDERS EISAI CO., LTD (JP) 2000-01-13 WO disclosed
WO-1993021171-A1 USE OF 2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES FOR PREPARING NMDA/AMPA RECEPTOR ANTAGONIST DRUGS, NOVEL PRODUCTS, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1993-10-28 WO disclosed
WO-1993021171-A1 USE OF 2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES FOR PREPARING NMDA/AMPA RECEPTOR ANTAGONIST DRUGS, NOVEL PRODUCTS, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1993-10-28 WO disclosed
WO-1993021171-A1 USE OF 2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES FOR PREPARING NMDA/AMPA RECEPTOR ANTAGONIST DRUGS, NOVEL PRODUCTS, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1993-10-28 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-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family KAT5, KAT6A, KAT2A CA12 4594/4885CA2 4004/4885CA9 4651/4885
US-20040204347-A1 Treatment of demyelinating disorders GRIK4, GRIK5, PMP22 CA12 2749/4885CA2 2263/4885CA9 4742/4885
US-20050130979-A1 2,3-dihydroxy-6-nitro-7-sulfamoyl-benzo(F)quinoxaline (NBQX) or the quinoxalinedione is 9-methyl-amino-6-nitro-hexahydro-benzo(F) quinoxalinedione (PNQX) for treating demyelinating disorders GRIK4, GRIK5, GRIK3 CA12 4102/4885CA2 2511/4885CA9 4071/4885
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CA12 379/4885CA2 311/4885CA9 224/4885
US-20050182047-A1 Treatment of demyelinating disorders GRIK4, PMP22, GRIK5 CA12 2301/4885CA2 2101/4885CA9 4707/4885

“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.