SCHEMBL3887616

SCHEMBL3887616

O=S(=O)(Nc1ccc2[nH]c3c(c2c1)CCN(CC(F)(F)F)C3)c1csc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.41
BCHE P06276 1/20 0.39
HTR1A P08908 3/20 0.39
ADRA2A P08913 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 2/20 0.38
GAA P10253 1/20 0.38
RCE1 Q9Y256 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
HTR2C P28335 2/20 0.37
HTR7 P34969 2/20 0.37

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
SCHEMBL3881116 0.89 HTR1A (0.42) HTR6HTR1AADRA2ASIGMAR1MEN1
SCHEMBL3877938 0.84 KDM4E (0.50) HTR6HTR1AADRA2AMEN1KMT2A
SCHEMBL3885118 0.77 KDM4E (0.50) HTR6HTR1AADRA2AMEN1KMT2A
SCHEMBL12316118 0.75 HTR6 (0.49) HTR6HTR1AHTR2CHTR7
SCHEMBL13899949 0.75 HTR6 (0.36) HTR6HTR1ATRPV1HTR2CHTR7
SCHEMBL3948426 0.75 HTR6 (0.51) HTR6HTR2C
SCHEMBL3874512 0.72 KIF11 (0.44) HTR6HTR1AADRA2ASIGMAR1
SCHEMBL4031402 0.70 BRD4 (0.53) HTR6HTR1AKMT2AHTR2CHTR7
SCHEMBL3874258 0.69 BAZ2B (0.46) HTR1ASIGMAR1MEN1KMT2AATM
SCHEMBL12316089 0.69 HTR6 (0.53) HTR6HTR1AMEN1KMT2ATRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919475-B1 TETRAHYDRO- BETA-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS ESTEVE LABOR DR (ES) 2009-03-11 EP 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
US-8263609-B2 Tetrahydro-β-carbolin-sulfonamide derivatives as 5-Ht6 ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-09-11 US 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
US-20080280942-A1 Tetrahydro-Beta-Carbolin-Sulfonamide Derivatives as 5-Ht6 Ligands LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2008-11-13 US 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 HTR6 1/4885BCHE 568/4885HTR1A 9/4885

“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.