SCHEMBL3626281

SCHEMBL3626281

Cc1c(Cl)cccc1S(=O)(=O)Nc1cc2ccccc2c(N2CCN(C)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.50
HSD17B1 P14061 1/20 0.47
HSD17B2 P37059 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SGK1 O00141 1/20 0.46
HTR6 P50406 5/20 0.44
SLC40A1 Q9NP59 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
EDNRB P24530 1/20 0.41
EDNRA P25101 1/20 0.41
HRH4 Q9H3N8 1/20 0.40

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 SCHEMBL1380788 0.99 HSD11B1 (0.49) HSD11B1HSD17B1HSD17B2ALDH1A1SGK1
SCHEMBL3623707 0.84 HTR6 (0.46) ALDH1A1SGK1HTR6CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1380936 0.83 HTR6 (0.45) ALDH1A1SGK1HTR6CYP1A2CYP3A4
SCHEMBL1379758 0.82 HTR6 (0.44) ALDH1A1SGK1HTR6CYP1A2CYP3A4
SCHEMBL1379933 0.82 SCN9A (0.47) ALDH1A1HTR6HTR3EHTR3BHTR3A
SCHEMBL1381190 0.81 HTR3A (0.51) ALDH1A1HTR6CYP1A2CYP3A4CYP2D6
SCHEMBL1380690 0.80 GBA1 (0.51) ALDH1A1HTR6CYP1A2CYP3A4CYP2D6
SCHEMBL1383478 0.79 HTR3A (0.44) ALDH1A1HTR6SLC40A1CYP1A2CYP3A4
SCHEMBL1380961 0.79 PIK3CA (0.48) HTR6CYP1A2CYP3A4CYP2D6HTR3E
SCHEMBL1382359 0.79 ALDH1A1 (0.49) ALDH1A1HTR6CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 US claimed
US-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US claimed
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-21 US claimed
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 US disclosed
US-7572787-B2 Substituted naphthalene sulfonamides BIOVITRUM AB (SE) 2009-08-11 US disclosed
US-20070066598-A1 Compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2007-03-22 US disclosed
US-7144883-B2 Bicyclic sulfonamide compounds BIOVITRUM AB (SE) 2006-12-05 US disclosed
EP-1412325-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2004-04-28 EP disclosed
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-21 US disclosed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 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 (5 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-20070066599-A1 New compounds SULT2A1, GPR119, STS HSD11B1 673/4885HSD17B1 631/4885HSD17B2 466/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 HSD11B1 570/4885HSD17B1 551/4885HSD17B2 359/4885
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders SULT2A1, SULT1A1, SULT1E1 HSD11B1 1427/4885HSD17B1 498/4885HSD17B2 467/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 HSD11B1 570/4885HSD17B1 551/4885HSD17B2 359/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS HSD11B1 673/4885HSD17B1 631/4885HSD17B2 466/4885

“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.