SCHEMBL5357312

SCHEMBL5357312

Nc1ccc(C(F)(F)F)cc1S(N)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.55
CA2 P00918 6/20 0.55
CA9 Q16790 5/20 0.55
CA12 O43570 4/20 0.55
CA4 P22748 4/20 0.55
CA6 P23280 4/20 0.55
CA5A P35218 4/20 0.55
CA7 P43166 4/20 0.55
CA14 Q9ULX7 4/20 0.55
CA5B Q9Y2D0 4/20 0.55
ALOX5AP P20292 2/20 0.48
FEN1 P39748 2/20 0.48
KIF11 P52732 4/20 0.47
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTGES2 Q9H7Z7 2/20 0.43
LMNA P02545 1/20 0.41

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
SCHEMBL3482511 0.85 CA1 (0.47) CA1CA2CA9CA12CA4
SCHEMBL6684584 0.85 CA1 (0.55) CA1CA2CA9CA12CA4
SCHEMBL30137559 0.85 CA1 (0.55) CA1CA2CA9CA12CA4
SCHEMBL20093090 0.83 ALOX5AP (0.49) CA1CA2CA9ALOX5APFEN1
SCHEMBL1363127 0.83 ALDH1A1 (0.47) CA1CA2CA9ALOX5APFEN1
SCHEMBL1523192 0.82 ALDH1A1 (0.52) CA1CA2CA9CA12CA4
SCHEMBL29913652 0.81 CA1 (0.55) CA1CA2CA9CA12CA4
SCHEMBL2777161 0.81 ALOX5AP (0.51) CA1CA2CA9CA12CA4
SCHEMBL2182720 0.81 KIF11 (0.47) CA1CA2CA9CA12CA4
SCHEMBL30543023 0.81 ALOX5AP (0.51) CA1CA2CA9CA12CA4

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
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
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
EP-3676266-A1 FUSED [1,2,4]THIADIAZINE DERIVATIVES WHICH ACT AS KAT INHIBITORS OF THE MYST FAMILY Ctxt Pty Ltd (AU) 2020-07-08 EP 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
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-7268129-B2 Fluorinated benzothiadiazine compounds LES LABORATOIRES SERVIER (FR) 2007-09-11 US disclosed
CN-1308317-C New fluorinated benzothiadiazine compounds, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2007-04-04 CN disclosed
CN-1680343-A New fluorinated benzothiadiazine compounds, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-10-12 CN disclosed
US-20050165008-A1 Fluorinated benzothiadiazine compounds LES LABORATORIES SERVIER (FR) 2005-07-28 US disclosed
EP-1557412-A1 Fluorinated benzothiadiazine derivatives and their use as AMPA receptor modulators Les Laboratoires Servier (FR) 2005-07-27 EP disclosed
US-6242443-B1 1,2,4-benzothiadiazine derivatives, their preparation and use NOVO NORDISK AIS (DK) 2001-06-05 US disclosed
EP-0906297-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-04-07 EP disclosed
WO-1997049692-A1 1,2,4-BENZOTHIADIAZINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-12-31 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-20210380548-A1 Fused [1,2,4]Thiadiazine Derivatives Which Act as KAT Inhibitors of the MYST Family KAT5, KAT6A, KAT2A CA1 3478/4885CA2 4004/4885CA9 4651/4885
US-20050165008-A1 Fluorinated benzothiadiazine compounds GRM1, GRIN1, GRIK5 CA1 1787/4885CA2 1644/4885CA9 4462/4885

“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.