SCHEMBL3613022

SCHEMBL3613022

COc1ccc(NS(=O)(=O)c2ccc(N3CCNCC3)c3ccccc23)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 1/20 0.54
HTR6 P50406 10/20 0.52
KEAP1 Q14145 1/20 0.49
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
HTR3A P46098 2/20 0.47
HTR1A P08908 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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 SCHEMBL1380767 0.99 ALDH1A1 (0.53) ALDH1A1HTTLMNAHTR6KEAP1
SCHEMBL1377865 0.92 HTR6 (0.54) ALDH1A1HTTHTR6KDM4EMEN1
SCHEMBL1377923 0.89 ALDH1A1 (0.55) ALDH1A1HTTLMNAHTR6KDM4E
SCHEMBL1380554 0.87 KEAP1 (0.56) ALDH1A1HTTLMNAHTR6KEAP1
SCHEMBL4318272 0.82 HTR6 (0.66) HTR6MAPTHTR3AHTR1A
SCHEMBL1377079 0.80 KEAP1 (0.67) ALDH1A1LMNAHTR6KEAP1GAA
SCHEMBL3624173 0.80 KEAP1 (0.69) HTR6KEAP1
SCHEMBL3621815 0.79 HTR6 (0.57) ALDH1A1LMNAHTR6MAPT
SCHEMBL3624092 0.79 KEAP1 (0.63) ALDH1A1LMNAHTR6KEAP1KDM4E
Hydrochloric Acid SCHEMBL1378718 0.79 KEAP1 (0.67) HTR6KEAP1

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 8 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-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 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-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

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 ALDH1A1 363/4885HTT 1789/4885LMNA 3860/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 ALDH1A1 262/4885HTT 1365/4885LMNA 3321/4885
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 ALDH1A1 401/4885HTT 816/4885LMNA 3411/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 ALDH1A1 262/4885HTT 1365/4885LMNA 3321/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS ALDH1A1 363/4885HTT 1789/4885LMNA 3860/4885

“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.