SCHEMBL3201245

SCHEMBL3201245

CCCCCCCCCN(CCCCCCCCC)S(=O)(=O)c1cc[c]cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.48
VCAM1 P19320 2/20 0.48
CA12 O43570 4/20 0.47
CA9 Q16790 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CA2 P00918 2/20 0.47
RAB9A P51151 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47
ABCC2 Q92887 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
UGT1A7 Q9HAW7 1/20 0.47
SLC22A11 Q9NSA0 1/20 0.47
SERPINE1 P05121 1/20 0.47
POLB P06746 1/20 0.44
CA1 P00915 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
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
SCHEMBL3201690 1.00 CNR2 (0.48) CNR2VCAM1CA12CA9SMN1; SMN2
SCHEMBL3193958 1.00 CNR2 (0.48) CNR2VCAM1CA12CA9SMN1; SMN2
SCHEMBL3196045 1.00 CNR2 (0.48) CNR2VCAM1CA12CA9SMN1; SMN2
SCHEMBL3193841 1.00 CNR2 (0.48) CNR2VCAM1CA12CA9SMN1; SMN2
SCHEMBL3198478 1.00 CNR2 (0.48) CNR2VCAM1CA12CA9SMN1; SMN2
SCHEMBL3200608 0.98 VCAM1 (0.49) CNR2VCAM1CA12CA9SMN1; SMN2
SCHEMBL2677005 0.93 SMN1; SMN2 (0.50) VCAM1CA12CA9SMN1; SMN2CA2
SCHEMBL11418681 0.87 KDM4E (0.51) CNR2VCAM1CA12CA9SMN1; SMN2
SCHEMBL483162 0.86 CA9 (0.57) VCAM1CA12CA9SMN1; SMN2CA2
SCHEMBL9769423 0.85 VCAM1 (0.43) CNR2VCAM1SMN1; SMN2SERPINE1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678907-B2 Halogenation of rylen-carboximides with elementary halogen in a two-phase mixture comprising an organic solvent and water, wherein formed halogen hydroxide is continuously removable from the organic solvent BASF AKTIENGESSELLSCHAFT (DE) 2010-03-16 US disclosed
EP-1802622-B1 HALOGENATION OF RYLEN-CARBOXIMIDES WITH ELEMENTARY HALOGEN IN A TWO-PHASE MIXTURE COMPRISING AN ORGANIC SOLVENT AND WATER, WHEREIN FORMED HALOGEN HYDROCIDE IS CONTINUOUSLY REMOVABLE FROM THE ORGANIC SOLVENT BASF SE (DE) 2008-04-23 EP disclosed
US-20080058526-A1 Halogenation of Rylen-Carboximides with Elementary Halogene in a Two-Phase Mixture Comprising an Organic Solvent and Water, Wherein Formed Halogene Hydrocide is Continously Removable from the Organic Solvent BASF AKTIENGESELLSCHAFT (DE) 2008-03-06 US disclosed
EP-1802622-A1 HALOGENATION OF RYLEN-CARBOXIMIDES WITH ELEMENTARY HALOGEN IN A TWO-PHASE MIXTURE COMPRISING AN ORGANIC SOLVENT AND WATER, WHEREIN FORMED HALOGEN HYDROCIDE IS CONTINUOUSLY REMOVABLE FROM THE ORGANIC SOLVENT BASF AKTIENGESELLSCHAFT (DE) 2007-07-04 EP disclosed
WO-2006037539-A1 HALOGENATION OF RYLEN-CARBOXIMIDES WITH ELEMENTARY HALOGEN IN A TWO-PHASE MIXTURE COMPRISING AN ORGANIC SOLVENT AND WATER, WHEREIN FORMED HALOGEN HYDROCIDE IS CONTINUOUSLY REMOVABLE FROM THE ORGANIC SOLVENT BASF AKTIENGESELLSCHAFT (DE) 2006-04-13 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 (1 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-20080058526-A1 Halogenation of Rylen-Carboximides with Elementary Halogene in a Two-Phase Mixture Comprising an Organic Solvent and Water, Wherein Formed Halogene Hydrocide is Continously Removable from the Organic Solvent CYP8B1, HACL2, CTRB2 CNR2 137/4885VCAM1 3506/4885CA12 369/4885

“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.