SCHEMBL10040144

SCHEMBL10040144

O=CNc1cc(-c2ccccc2)ccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.68
ACLY P53396 10/20 0.43
MMP1 P03956 3/20 0.41
MMP2 P08253 3/20 0.41
MMP3 P08254 3/20 0.41
MMP9 P14780 3/20 0.41
MMP8 P22894 3/20 0.41
MMP12 P39900 3/20 0.41
MMP13 P45452 3/20 0.41
MMP14 P50281 3/20 0.41
MMP16 P51512 3/20 0.41
PTGES2 Q9H7Z7 1/20 0.40
HSD17B2 P37059 1/20 0.39

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
SCHEMBL10040108 0.87 HTR6 (0.74) HTR6ACLY
SCHEMBL10040111 0.81 HTR6 (1.00) HTR6ACLYMMP1MMP2MMP3
SCHEMBL10040156 0.72 HTR6 (0.61) HTR6MMP1MMP2MMP3MMP9
SCHEMBL10040087 0.70 HTR6 (1.00) HTR6
SCHEMBL5457309 0.69 ACLY (0.56) ACLY
SCHEMBL3026340 0.68 HTR6 (0.74) HTR6MMP1MMP2MMP3MMP9
(Phenylsulfonyl)Benzene SCHEMBL28196220 0.68 HTR6 (0.74) HTR6MMP1MMP2MMP3MMP9
SCHEMBL20198254 0.68 HTR6 (0.58) HTR6MMP1MMP2MMP3MMP9
SCHEMBL11577144 0.68 HTR6 (0.45) HTR6
SCHEMBL15307422 0.68 KIF18A (0.68) HTR6MMP1MMP2MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3072882-A1 SUBSTITUTED METHYL AMINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS, METHODS FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2016-09-28 EP disclosed
US-8829002-B2 Substituted methyl amines, serotonin 5-HT6 receptor antagonists, methods for production and use thereof IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2014-09-09 US disclosed
US-8829002-B2 Substituted methyl amines, serotonin 5-HT6 receptor antagonists, methods for production and use thereof IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2014-09-09 US disclosed
EP-2657225-A2 SUBSTITUTED METHYL AMINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS, METHODS FOR THE PRODUCTION AND USE THEREOF Ivachtchenko, Alexandre Vasilievich (RU) 2013-10-30 EP disclosed
US-20130267536-A1 SUBSTITUTED METHYL AMINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS, METHODS FOR PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2013-10-10 US disclosed
US-20130267536-A1 SUBSTITUTED METHYL AMINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS, METHODS FOR PRODUCTION AND USE THEREOF ALLA CHEM, LLC (US) 2013-10-10 US disclosed
WO-2012087182-A2 SUBSTITUTED METHYL AMINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS, METHODS FOR THE PRODUCTION AND USE THEREOF АЛЛА ХЕМ, ЛЛС (US) 2012-06-28 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-20130267536-A1 SUBSTITUTED METHYL AMINES, SEROTONIN 5-HT6 RECEPTOR ANTAGONISTS, METHODS FOR PRODUCTION AND USE THEREOF HTR6, HTR1F, HTR1A HTR6 1/4885ACLY 3631/4885MMP1 4381/4885

“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.