SCHEMBL4550033

SCHEMBL4550033

COCc1ccccc1NS(=O)(=O)c1ccc(C)c(N2CCN(C)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
RAD52 P43351 2/20 0.48
HTR6 P50406 11/20 0.46
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
CECR2 Q9BXF3 1/20 0.45
BRD9 Q9H8M2 1/20 0.45
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MCOLN2 Q8IZK6 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
MCOLN1 Q9GZU1 1/20 0.43
GFER P55789 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
Hydrochloric Acid SCHEMBL9111196 0.99 RAD52 (0.49) TSHRRAD52HTR6BRD4CREBBP
SCHEMBL2722161 0.89 HTR6 (0.57) HTR6
SCHEMBL4549895 0.89 HTR6 (0.60) HTR6MCOLN2MCOLN3MCOLN1CYP3A4
Hydrochloric Acid SCHEMBL2721965 0.88 HTR6 (0.59) HTR6MCOLN2MCOLN3MCOLN1CYP3A4
Hydrochloric Acid SCHEMBL9108834 0.88 HTR6 (0.56) HTR6
SCHEMBL9889217 0.86 LMNA (0.51) TSHRHTR6LMNACYP3A4
Hydrochloric Acid SCHEMBL2719478 0.85 LMNA (0.50) TSHRHTR6LMNACYP3A4
SCHEMBL2719696 0.85 GFER (0.46) TSHRHTR6LMNAPKMSMN1; SMN2
SCHEMBL2721198 0.80 HTR6 (0.50) HTR6LMNAPKMSMN1; SMN2CYP3A4
SCHEMBL6188352 0.80 HTR6 (0.62) HTR6MCOLN2MCOLN3MCOLN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710059-B2 N-phenyl-(homo)piperazinyl-benzenesulfonyl or benzenesulfonamide compounds suitable for treating disorders that respond to the modulation of the serotonin 5-HT6 receptor ABBOTT LABORATORIES (US) 2014-04-29 US disclosed
US-8710059-B2 N-phenyl-(homo)piperazinyl-benzenesulfonyl or benzenesulfonamide compounds suitable for treating disorders that respond to the modulation of the serotonin 5-HT6 receptor ABBOTT LABORATORIES (US) 2014-04-29 US disclosed
US-20120142674-A1 N-PHENYL-(HOMO)PIPERAZINYL-BENZENESULFONYL OR BENZENESULFONAMIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT LABORATORIES (US) 2012-06-07 US disclosed
US-20120142674-A1 N-PHENYL-(HOMO)PIPERAZINYL-BENZENESULFONYL OR BENZENESULFONAMIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT LABORATORIES (US) 2012-06-07 US disclosed
WO-2012059432-A1 N-PHENYL-(HOMO)PIPERAZINYL-BENZENESULFONYL OR BENZENESULFONAMIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OF THE 5-HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2012-05-10 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-20120142674-A1 N-PHENYL-(HOMO)PIPERAZINYL-BENZENESULFONYL OR BENZENESULFONAMIDE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO THE MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR6, HTR5A, HTR1B TSHR 515/4885RAD52 4244/4885HTR6 1/4885

“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.