SCHEMBL3874477

SCHEMBL3874477

O=S(=O)(O)c1c(C(F)(F)F)nc2sccn12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MET P08581 3/20 0.36
DYRK1A Q13627 1/20 0.36
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.35
PTGS2 P35354 4/20 0.34
PTGS1 P23219 1/20 0.34
ALOX12 P18054 1/20 0.34
ACLY P53396 1/20 0.34
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL3868823 0.76 TDP1 (0.44) SMN1; SMN2KDM4EMETDYRK1ACYP1A2
SCHEMBL13377080 0.74 CYP1A2 (0.53) SMN1; SMN2KDM4ELMNAPOLBDYRK1A
SCHEMBL1398900 0.72 CYP1A2 (0.40) SMN1; SMN2KDM4ELMNAPOLBDYRK1A
SCHEMBL23415129 0.71 TDP1 (0.60) SMN1; SMN2KDM4ELMNAPOLBDYRK1A
SCHEMBL344080 0.65 MET (0.52) METDYRK1ACYP1A2ACLY
SCHEMBL12709225 0.64 CYP1A1 (0.34) SMN1; SMN2KDM4ELMNAPOLBCYP1A2
SCHEMBL12710004 0.64 MAPT (0.45) SMN1; SMN2KDM4EPOLBTDP1ALDH1A1
SCHEMBL14447519 0.64 MET (0.51) METDYRK1ACYP1A2ACLY
SCHEMBL1743494 0.64 MET (0.51) METDYRK1ACYP1A2ACLY
SCHEMBL9363424 0.64 ALOX12 (0.51) CYP1A2TDP1MAPK1ALOX12TP53

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-8263609-B2 Tetrahydro-β-carbolin-sulfonamide derivatives as 5-Ht6 ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-09-11 US claimed
EP-1919475-B1 TETRAHYDRO- BETA-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS ESTEVE LABOR DR (ES) 2009-03-11 EP claimed
US-20080280942-A1 Tetrahydro-Beta-Carbolin-Sulfonamide Derivatives as 5-Ht6 Ligands LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2008-11-13 US claimed
US-8263609-B2 Tetrahydro-β-carbolin-sulfonamide derivatives as 5-Ht6 ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-09-11 US disclosed
EP-1919475-B1 TETRAHYDRO- BETA-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS ESTEVE LABOR DR (ES) 2009-03-11 EP disclosed
US-20080280942-A1 Tetrahydro-Beta-Carbolin-Sulfonamide Derivatives as 5-Ht6 Ligands LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2008-11-13 US disclosed
EP-1919475-A1 TETRAHYDRO- BETA-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS Laboratorios del Dr. Esteve S.A. (ES) 2008-05-14 EP disclosed
WO-2007028460-A1 TETRAHYDRO-β-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-03-15 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-20080280942-A1 Tetrahydro-Beta-Carbolin-Sulfonamide Derivatives as 5-Ht6 Ligands HTR6, HTR5A, HTR1B SMN1; SMN2 1498/4885KDM4E 4813/4885LMNA 3349/4885

“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.