SCHEMBL3624092

SCHEMBL3624092

COc1cc(C)ccc1S(=O)(=O)Nc1ccc(N2CCCNCC2)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.63
HTR6 P50406 11/20 0.52
ERAP1 Q9NZ08 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HTR1A P08908 2/20 0.45
HTR3A P46098 2/20 0.45
BRD4 O60885 2/20 0.44
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL1380554 0.93 KEAP1 (0.56) KEAP1HTR6ERAP1ALDH1A1MAPT
SCHEMBL1378313 0.85 HTR6 (0.49) KEAP1HTR6ALDH1A1MAPTMEN1
SCHEMBL3623223 0.82 KEAP1 (0.59) KEAP1HTR6ALDH1A1MAPTMEN1
SCHEMBL1377353 0.81 HTR6 (0.47) KEAP1HTR6ALDH1A1MAPTMEN1
SCHEMBL3621815 0.80 HTR6 (0.57) HTR6ALDH1A1MAPTLMNABRD4
Hydrochloric Acid SCHEMBL1376801 0.79 HTR6 (0.56) HTR6ALDH1A1MAPTLMNABRD4
SCHEMBL1377923 0.79 ALDH1A1 (0.55) HTR6ALDH1A1MAPTMEN1KMT2A
SCHEMBL3613022 0.79 ALDH1A1 (0.54) KEAP1HTR6ALDH1A1MAPTMEN1
SCHEMBL3626316 0.79 KEAP1 (0.69) KEAP1HTR6HTR1A
SCHEMBL1380560 0.78 HTR6 (0.53) HTR6ALDH1A1MAPTHTR1AHTR3A

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
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
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

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 KEAP1 1645/4885HTR6 1659/4885ERAP1 1093/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 KEAP1 1144/4885HTR6 1213/4885ERAP1 1123/4885
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 KEAP1 309/4885HTR6 2369/4885ERAP1 1824/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 KEAP1 1144/4885HTR6 1213/4885ERAP1 1123/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS KEAP1 1645/4885HTR6 1659/4885ERAP1 1093/4885

“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.