SCHEMBL616374

SCHEMBL616374

COc1ccc(S(=O)(=O)Nc2ccccc2OC(F)F)cc1N1CCN(C(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.54
MCOLN2 Q8IZK6 1/20 0.53
MCOLN3 Q8TDD5 1/20 0.53
MCOLN1 Q9GZU1 1/20 0.53
GFER P55789 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
HTR7 P34969 1/20 0.46
HTR4 Q13639 1/20 0.46

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
SCHEMBL614253 0.89 TGFBR1 (0.55) HTR6MCOLN2MCOLN3MCOLN1GFER
SCHEMBL614763 0.89 HTR6 (0.59) HTR6MCOLN2MCOLN3MCOLN1MEN1
Hydrochloric Acid SCHEMBL614310 0.88 HTR6 (0.58) HTR6MCOLN2MCOLN3MCOLN1MEN1
SCHEMBL614899 0.86 HTR6 (0.72) HTR6HTR7HTR4
Hydrochloric Acid SCHEMBL614699 0.85 HTR6 (0.71) HTR6HTR7HTR4
SCHEMBL617125 0.85 HTR6 (0.49) HTR6MEN1KMT2AHTT
SCHEMBL617817 0.79 HTR6 (0.54) HTR6MEN1KMT2AALDH1A1HTR7
Hydrochloric Acid SCHEMBL614732 0.79 HTR6 (0.53) HTR6MEN1KMT2AALDH1A1HTR7
SCHEMBL617220 0.78 HTR6 (0.56) HTR6MEN1KMT2AALDH1A1HTR7
SCHEMBL617104 0.78 TSHR (0.47) HTR6MCOLN2MCOLN3MCOLN1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130018047-A1 N-PHENYL-(PIPERAZINYL OR HOMOPIPERAZINYL)-BENZENESULFONAMIDE OR BENZENESULFONYL-PHENYL-(PIPERAZINE OR HOMOPIPERAZINE) COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT LABORATORIES (US) 2013-01-17 US disclosed
US-8343959-B2 N-phenyl-(piperazinyl or homopiperazinyl)-benzenesulfonamide or benzenesulfonyl-phenyl-(piperazine or homopiperazine) compounds suitable for treating disorders that respond to modulation of the serotonin 5-HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-01-01 US disclosed
US-20120040969-A1 N-PHENYL-(PIPERAZINYL OR HOMOPIPERAZINYL)-BENZENESULFONAMIDE OR BENZENESULFONYL-PHENYL-(PIPERAZINE OR HOMOPIPERAZINE) COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR ABBOTT LABORATORIES (US) 2012-02-16 US 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-20120040969-A1 N-PHENYL-(PIPERAZINYL OR HOMOPIPERAZINYL)-BENZENESULFONAMIDE OR BENZENESULFONYL-PHENYL-(PIPERAZINE OR HOMOPIPERAZINE) COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR6, HTR5A, HTR2A HTR6 1/4885MCOLN2 2719/4885MCOLN3 2624/4885
US-20130018047-A1 N-PHENYL-(PIPERAZINYL OR HOMOPIPERAZINYL)-BENZENESULFONAMIDE OR BENZENESULFONYL-PHENYL-(PIPERAZINE OR HOMOPIPERAZINE) COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5-HT6 RECEPTOR HTR6, HTR5A, HTR2A HTR6 1/4885MCOLN2 2719/4885MCOLN3 2624/4885

“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.