SCHEMBL3680871

SCHEMBL3680871

Cc1ccc(S(=O)(=O)N2CC(=O)c3ccccc3C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.60
KCNA3 P22001 1/20 0.60
GAA P10253 2/20 0.51
PKM P14618 4/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
USP2 O75604 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MMP2 P08253 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TAS2R14 Q9NYV8 1/20 0.46
CTSG P08311 1/20 0.45
CMA1 P23946 1/20 0.45
KMT2A Q03164 1/20 0.44

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
SCHEMBL16572402 0.87 MEN1 (0.55) KCNN4KCNA3GAAPKMALDH1A1
SCHEMBL31287301 0.87 MEN1 (0.55) KCNN4KCNA3GAAPKMALDH1A1
SCHEMBL5708819 0.86 GAA (0.62) GAAPKMALDH1A1LMNAUSP2
SCHEMBL25422392 0.81 HDAC1 (0.46) KCNN4KCNA3GAAPKMALDH1A1
SCHEMBL13171923 0.81 KCNN4 (0.46) KCNN4KCNA3GAAPKMALDH1A1
SCHEMBL5796536 0.81 HDAC1 (0.46) KCNN4KCNA3PKMALDH1A1LMNA
SCHEMBL21315085 0.79 KCNN4 (0.47) KCNN4KCNA3GAAPKMALDH1A1
SCHEMBL29191634 0.78 KCNN4 (0.49) KCNN4KCNA3GAAPKMALDH1A1
SCHEMBL13171921 0.78 PKM (0.44) KCNN4KCNA3GAAPKMALDH1A1
SCHEMBL16503316 0.78 KMT2A (0.44) KCNN4KCNA3PKMALDH1A1LMNA

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-20100041690-A1 Co-Administration of Dopamine-Receptor Binding Compounds DARPHARMA, INC. 2010-02-18 US disclosed
US-20070254906-A1 Method of Administration of Dopamine Receptor Agonists DARPHARMA, INC. (US) 2007-11-01 US disclosed
US-20070155720-A1 Co-administration of dopamine-receptor binding compounds DARPHARMA, INC. (US) 2007-07-05 US disclosed
WO-2006012640-A2 METHOD OF ADMINISTRATION OF DOPAMINE RECEPTOR AGONISTS DARPHARMA, INC. (US) 2006-02-02 WO disclosed
EP-0845988-B1 NOVEL FUSED ISOQUINOLINES AS DOPAMINE RECEPTOR LIGANDS PURDUE RESEARCH FOUNDATION (US) 2001-12-05 EP disclosed
US-6194423-B1 CENTRAL NERVOUS SYSTEM DISORDERS PURDUE RESEARCH FOUNDATION 2001-02-27 US disclosed
US-5959110-A SUBSTITUTED TETRAHYDRO-1H-NAPH(1,2,3-DE)ISOQUINOLINE COMPOUND USEFUL FOR TREATING NERVOUS SYSTEM DISORDERS PURDUE RESEARCH FOUNDATION (US) 1999-09-28 US disclosed
CN-1199338-A Novel fused isoquinolines as dopamine receptor ligands PURDUE RESEARCH FOUNDATION (US) 1998-11-18 CN 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 (3 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-20100041690-A1 Co-Administration of Dopamine-Receptor Binding Compounds DRD2, DRD1, DRD3 KCNN4 1286/4885KCNA3 656/4885GAA 1590/4885
US-20070254906-A1 Method of Administration of Dopamine Receptor Agonists ADRA1D, DRD2, CHRM3 KCNN4 1093/4885KCNA3 1150/4885GAA 1737/4885
US-20070155720-A1 Co-administration of dopamine-receptor binding compounds DRD2, DRD1, DRD3 KCNN4 1275/4885KCNA3 660/4885GAA 1561/4885

“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.