SCHEMBL2775974

SCHEMBL2775974

Cc1ccc(S(N)(=O)=O)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
PDIA6 Q15084 1/20 0.41
SOS1 Q07889 1/20 0.40
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
CA1 P00915 7/20 0.37
CA2 P00918 7/20 0.37
CA12 O43570 5/20 0.37
CA7 P43166 4/20 0.37
CA9 Q16790 3/20 0.37
CA6 P23280 3/20 0.37
CA5A P35218 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
CA3 P07451 1/20 0.37
CA13 Q8N1Q1 2/20 0.36
BRD4 O60885 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
SCHEMBL16506317 0.82 HPGD (0.35) ALDH1A1SOS1GAAL3MBTL1LMNA
SCHEMBL21800172 0.82 CA1 (0.41) ALDH1A1PDIA6SOS1GAAKDM4E
SCHEMBL15171297 0.81 CA2 (0.44) SOS1CA1CA2CA12CA7
SCHEMBL31149230 0.78 TRPV4 (0.36) ALDH1A1L3MBTL1
SCHEMBL4758893 0.77 MAOB (0.46) ALDH1A1LMNAPTGS1PTGS2CA1
SCHEMBL1799529 0.77 PTGES2 (0.43) SOS1LMNAPTGS1PTGS2CA1
SCHEMBL29469817 0.77 PTGES2 (0.43) SOS1LMNAPTGS1PTGS2CA1
SCHEMBL20485940 0.77 TET2 (0.39) ALDH1A1PDIA6SOS1GAAKDM4E
SCHEMBL21808336 0.76 CA12 (0.48) SOS1PTGS1PTGS2CA1CA2
SCHEMBL2776078 0.76 CA2 (0.46) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220283175-A1 METALLOENZYMES FOR BIOMOLECULAR RECOGNITION OF N-TERMINAL MODIFIED PEPTIDES Encodia, Inc. (US) 2022-09-08 US disclosed
US-20220283175-A1 METALLOENZYMES FOR BIOMOLECULAR RECOGNITION OF N-TERMINAL MODIFIED PEPTIDES Encodia, Inc. (US) 2022-09-08 US disclosed
WO-2022147334-A1 METALLOENZYMES FOR BIOMOLECULAR RECOGNITION OF N-TERMINAL MODIFIED PEPTIDES Encodia, Inc. (US) 2022-07-07 WO disclosed
EP-3353178-B1 BICYCLIC COMPOUNDS AS DUAL ATX/CA INHIBITORS HOFFMANN LA ROCHE (CH) 2021-07-14 EP disclosed
EP-2147915-B1 New cycloalkylated benzothiadiazine derivatives, method of preparing same and pharmaceutical compositions containing them SERVIER LAB (FR) 2010-09-15 EP disclosed
US-7741320-B2 Cycloalkylated benzothiadiazines, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2010-06-22 US disclosed
EP-2147915-A1 New cycloalkylated benzothiadiazine derivatives, method of preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2010-01-27 EP disclosed
US-20100009974-A1 Cycloalkylated benzothiadiazines, a process for their preparation and pharmaceutical compostions containing them LES LABORATOIRES SERVIER (FR) 2010-01-14 US disclosed
WO-2010004139-A1 NEW CYCLOALKYLATED BENZOTHIADIAZINE DERIVATIVES, METHOD FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2010-01-14 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 (1 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-20100009974-A1 Cycloalkylated benzothiadiazines, a process for their preparation and pharmaceutical compostions containing them ACLY, HCAR1, GABRG1 ALDH1A1 1067/4885PDIA6 4609/4885SOS1 4875/4885

“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.