SCHEMBL3396873

SCHEMBL3396873

Cc1ccc(S(=O)(=O)c2ccccc2)n1C

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
HTR6 P50406 7/20 0.48
ALDH1A1 P00352 6/20 0.41
MAPT P10636 4/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TRIM24 O15164 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
PKM P14618 1/20 0.38
PSIP1 O75475 1/20 0.38

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
(Phenylsulfonyl)Benzene SCHEMBL9642019 0.69 HTR6 (0.88) HTR6ALDH1A1MAPTPOLBSMN1; SMN2
(Phenylsulfonyl)Benzene SCHEMBL29775288 0.68 HTR6 (1.00) HTR6ALDH1A1MAPTPOLBSMN1; SMN2
(Phenylsulfonyl)Benzene SCHEMBL30255 0.68 HTR6 (1.00) HTR6ALDH1A1MAPTPOLBSMN1; SMN2
(Phenylsulfonyl)Benzene SCHEMBL13735236 0.68 HTR6 (1.00) HTR6ALDH1A1MAPTPOLBSMN1; SMN2
(Phenylsulfonyl)Benzene SCHEMBL28119187 0.68 HTR6 (1.00) HTR6ALDH1A1MAPTPOLBSMN1; SMN2
(Phenylsulfonyl)Benzene SCHEMBL29473549 0.68 HTR6 (1.00) HTR6ALDH1A1MAPTPOLBSMN1; SMN2
(Phenylsulfonyl)Benzene SCHEMBL29450723 0.68 HTR6 (1.00) HTR6ALDH1A1MAPTPOLBSMN1; SMN2
(Phenylsulfonyl)Benzene SCHEMBL6912665 0.68 HTR6 (0.74) HTR6ALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL10466729 0.67 BRD4 (0.47) HTR6ALDH1A1MAPTPOLB
(Phenylsulfonyl)Benzene SCHEMBL11592325 0.67 HTR6 (0.82) HTR6ALDH1A1MAPTPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266960-B1 Aryl-substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles as anticonvulsants EURO CELTIQUE SA (LU) 2014-01-22 EP disclosed
EP-2266960-A2 Aryl-substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles as anticonvulsants EURO-CELTIQUE S.A. (LU) 2010-12-29 EP disclosed
EP-1173169-B1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-05-12 EP disclosed
EP-1173169-A4 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2007-04-04 EP disclosed
US-6737418-B2 CENTRAL NERVOUS SYSTEM DISORDERS; ANTICONVULSANTS EURO-CELTIQUE S.A. (LU) 2004-05-18 US disclosed
US-20030069292-A1 Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and the use thereof EURO-CELTIQUE S.A. 2003-04-10 US disclosed
US-6414011-B1 CENTRAL NERVOUS SYSTEM DISORDERS EURO-CELTIQUE S.A. (LU) 2002-07-02 US disclosed
EP-1173169-A1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF Euro-Celtique S.A. (LU) 2002-01-23 EP disclosed
WO-2000057877-A1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2000-10-05 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-20030069292-A1 Aryl substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles, and the use thereof GRIK5, GRIN3A, GRIK3 KDM4E 2557/4885HTR6 1183/4885ALDH1A1 284/4885

“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.