SCHEMBL5007591

SCHEMBL5007591

Cc1cccc(S(=O)(=O)N(C)C(=O)C(C)(C)C)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KCNJ6 P48051 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 3/20 0.35
NR1H3 Q13133 1/20 0.33
POLB P06746 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 2/20 0.31
HPGD P15428 2/20 0.31
CYP2C9 P11712 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
IDH1 O75874 1/20 0.30
TBXA2R P21731 1/20 0.30

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
SCHEMBL11095403 0.81 ALDH1A1 (0.57) HTTALDH1A1KCNJ6KCNJ5KCNJ3
SCHEMBL13994213 0.76 HSD11B1 (0.36) HTTALDH1A1KCNJ6KCNJ5KCNJ3
SCHEMBL13994229 0.76 PTPN1 (0.35) HTTALDH1A1KCNJ6KCNJ5KCNJ3
SCHEMBL13994207 0.75 ALDH1A1 (0.35) HTTALDH1A1KCNJ6KCNJ5KCNJ3
SCHEMBL13994226 0.74 HCRTR2 (0.38) HTTALDH1A1KCNJ6KCNJ5KCNJ3
SCHEMBL5012777 0.74 HCRTR2 (0.36) HTTALDH1A1KCNJ6KCNJ5KCNJ3
SCHEMBL13994222 0.73 SLC22A12 (0.35) NR1H3IDH1
SCHEMBL13082284 0.72 CYP1A2 (0.44) HTTALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL13994196 0.71 POLQ (0.36) HTTALDH1A1KCNJ6KCNJ5KCNJ3
SCHEMBL13994206 0.71 ALDH1A1 (0.32) HTTALDH1A1KCNJ6KCNJ5KCNJ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300280-A1 Cyanobenzene Compounds for Combating Animal Pests BASF SE (DE) 2008-12-04 US disclosed
US-20080300280-A1 Cyanobenzene Compounds for Combating Animal Pests BASF SE (DE) 2008-12-04 US disclosed
US-20080300280-A1 Cyanobenzene Compounds for Combating Animal Pests BASF SE (DE) 2008-12-04 US disclosed
WO-2007060220-A2 CYANOBENZENE COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2007-05-31 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-20080300280-A1 Cyanobenzene Compounds for Combating Animal Pests NR0B1, NR0B2, CBR1 HTT 2410/4885ALDH1A1 2218/4885KCNJ6 2658/4885

“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.