SCHEMBL13990652

SCHEMBL13990652

CCCN(CCC)S(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 14/20 0.58
CA12 O43570 13/20 0.58
CA2 P00918 4/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
SLC22A6 Q4U2R8 1/20 0.58
SLC22A8 Q8TCC7 1/20 0.58
ABCC2 Q92887 1/20 0.58
SLC22A12 Q96S37 1/20 0.58
UGT1A7 Q9HAW7 1/20 0.58
SLC22A11 Q9NSA0 1/20 0.58
CA1 P00915 9/20 0.58
ABCC9 O60706 1/20 0.51
ABCC8 Q09428 1/20 0.51
KCNJ11 Q14654 1/20 0.51
KCNJ8 Q15842 1/20 0.51
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
BMP1 P13497 1/20 0.50

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
SCHEMBL7873867 0.86 CA9 (0.55) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL14349177 0.85 HTT (0.66) RAB9ASMN1; SMN2ABCC9ABCC8KCNJ11
SCHEMBL12169380 0.85 ALDH1A1 (0.47) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL12169361 0.84 ALDH1A1 (0.47) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL3685046 0.83 HCRTR2 (0.44) CA9CA12CA2RAB9ASMN1; SMN2
Ditolamide SCHEMBL2110790 0.79 CA9 (0.64) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL24961912 0.79 ABCC9 (0.59) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL12169390 0.78 TDP1 (0.46) SMN1; SMN2MEN1LMNAKMT2AALDH1A1
SCHEMBL4081266 0.78 CA9 (0.62) CA9CA12CA2RAB9ASMN1; SMN2
SCHEMBL24162488 0.78 KMT2A (0.74) CA9CA12CA2RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 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 (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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 CA9 635/4885CA12 1663/4885CA2 1125/4885

“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.