SCHEMBL1422419

SCHEMBL1422419

O=S(=O)(O)c1c(Cl)nc2sccn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.53
MET P08581 4/20 0.51
ACLY P53396 1/20 0.48
HTR6 P50406 9/20 0.46
HTR2C P28335 2/20 0.46
HTR7 P34969 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2A6 P11509 1/20 0.46
HTR2B P41595 1/20 0.46
ADRB2 P07550 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
S1PR1 P21453 1/20 0.45
C5AR1 P21730 1/20 0.45
SLC6A2 P23975 1/20 0.45
FPR3 P25089 1/20 0.45
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR2A P28223 1/20 0.45
GPR183 P32249 1/20 0.45

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
SCHEMBL344080 0.85 MET (0.52) DYRK1AMETACLYHTR6HTR2C
SCHEMBL1743494 0.83 MET (0.51) DYRK1AMETACLYHTR6HTR2C
SCHEMBL14468673 0.81 DYRK1A (0.50) DYRK1AMETACLYHTR6HTR2C
SCHEMBL3868823 0.80 TDP1 (0.44) DYRK1AMETACLYHTR6CCKBR
Phenol SCHEMBL5484795 0.77 MET (0.52) DYRK1AMETACLYHTR6HTR2C
SCHEMBL3874477 0.76 SMN1; SMN2 (0.36) DYRK1AMETACLYCYP1A2ALDH1A1
SCHEMBL1339567 0.72 DYRK1A (0.56) DYRK1AACLYCYP1A2ALDH1A1HPGD
SCHEMBL3762990 0.71 ALDH1A1 (0.56) DYRK1ACYP1A2ALDH1A1HPGDTSHR
SCHEMBL20007689 0.71 HTR7 (0.46) DYRK1AMETACLYHTR6HTR2C
SCHEMBL14280359 0.70 HTR6 (0.48) METHTR6HTR2CHTR7CYP3A4

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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263609-B2 Tetrahydro-β-carbolin-sulfonamide derivatives as 5-Ht6 ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-09-11 US claimed
US-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS MARYANOFF BRUCE E (US) 2012-08-23 US claimed
EP-2007729-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2012-06-27 EP claimed
EP-2297166-A1 SUBSTITUTED N-IMIDAZO[2,1-B]THIAZOLE-5-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-03-23 EP claimed
US-20100076036-A1 HETEROCYCLYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-25 US claimed
WO-2010012806-A2 SUBSTITUTED INDOLE SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-04 WO claimed
EP-2149573-A1 Substituted indole sulfonamide compounds their preparation and use as medicaments Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-02-03 EP claimed
EP-2114929-A1 HETEROCYCLYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-11-11 EP claimed
US-20090264457-A1 Combination of at least two 5HT6-Ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-10-22 US claimed
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-20 US claimed
US-20070191391-A1 Urotensin II receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 US claimed
US-20070066587-A1 Substituted azetidine compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A (ES) 2007-03-22 US claimed
WO-2007028460-A1 TETRAHYDRO-β-CARBOLIN-SULFONAMIDE DERIVATIVES AS 5-HT6 LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-03-15 WO claimed
EP-1747779-A1 Tetrahydro-b-carbolin-sulfonamide derivatives as 5-HT6 ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-31 EP claimed
EP-1718609-A1 SUBSTITUTED AZETIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-11-08 EP claimed
US-20050215548-A1 Capable of binding to the oncoprotein HDM2 and modulating the HDM2-dependent regulation of the tumour suppressor p53 and/or E2F transcription factors; e.g. 5-Chloro-4-nitro-thiophene-2-sulfonic acid (4-nitrophenyl)-amide CYCLACEL LIMITED (GB) 2005-09-29 US claimed
WO-2005077897-A1 SUBSTITUTED AZETIDINE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-08-25 WO claimed
US-20050187208-A1 Substituted Azetidine compounds, their preparation and use as medicaments LABORATORIOS DE DR. ESTEVE S.A. (ES) 2005-08-25 US claimed
EP-1519932-A1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY Cyclacel Limited (GB) 2005-04-06 EP claimed
WO-2004005278-A1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY CYCLACEL LIMITED (GB) 2004-01-15 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20100076036-A1 HETEROCYCLYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS HTR6, HTR2A, HTR2C DYRK1A 1941/4885MET 3237/4885ACLY 3613/4885
US-20090264457-A1 Combination of at least two 5HT6-Ligands HTR6, HTR3B, HTR4 DYRK1A 692/4885MET 605/4885ACLY 3859/4885
US-20120214817-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, PLAUR, BDKRB2 DYRK1A 2606/4885MET 2334/4885ACLY 4569/4885
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS HTR6, HTR5A, HTR7 DYRK1A 3026/4885MET 1392/4885ACLY 4043/4885
US-20070191391-A1 Urotensin II receptor antagonists UTS2R, PLAUR, BDKRB2 DYRK1A 2606/4885MET 2334/4885ACLY 4569/4885
US-20070066587-A1 Substituted azetidine compounds, their preparation and use as medicaments AZI2, NISCH, QDPR DYRK1A 3108/4885MET 3429/4885ACLY 4182/4885
US-20050187208-A1 Substituted Azetidine compounds, their preparation and use as medicaments AZI2, NISCH, QDPR DYRK1A 3108/4885MET 3429/4885ACLY 4182/4885
US-20050215548-A1 Capable of binding to the oncoprotein HDM2 and modulating the HDM2-dependent regulation of the tumour suppressor p53 and/or E2F transcription factors; e.g. 5-Chloro-4-nitro-thiophene-2-sulfonic acid (4-nitrophenyl)-amide CCNL2, TP53, MDM2 DYRK1A 1829/4885MET 952/4885ACLY 2287/4885

“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.