SCHEMBL2818481

SCHEMBL2818481

COC(=O)c1ccc2c(c1)C(NS(=O)(=O)c1ccccc1Cl)CCC2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
CYP1A2 P05177 1/20 0.48
KCNA5 P22460 2/20 0.45
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
STAT3 P40763 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.42
TAS1R3 Q7RTX0 4/20 0.41
TAS1R1 Q7RTX1 4/20 0.41
TAS1R2 Q8TE23 4/20 0.41
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SLC26A4 O43511 1/20 0.40

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
SCHEMBL2818483 1.00 HTT (0.51) HTTCYP1A2KCNA5ALDH1A1L3MBTL1
SCHEMBL2820965 0.94 TAS1R3 (0.44) HTTCYP1A2KCNA5ALDH1A1L3MBTL1
SCHEMBL803565 0.94 TAS1R3 (0.44) HTTCYP1A2KCNA5ALDH1A1L3MBTL1
SCHEMBL2822028 0.89 CYP1A2 (0.59) HTTCYP1A2KCNA5ALDH1A1L3MBTL1
SCHEMBL484507 0.86 KCNA5 (0.44) HTTCYP1A2KCNA5ALDH1A1L3MBTL1
SCHEMBL484509 0.86 KCNA5 (0.44) HTTCYP1A2KCNA5ALDH1A1L3MBTL1
SCHEMBL785752 0.85 PDE4A (0.47) HTTCYP1A2KCNA5ALDH1A1L3MBTL1
SCHEMBL785751 0.85 PDE4A (0.47) HTTCYP1A2KCNA5ALDH1A1L3MBTL1
SCHEMBL13131208 0.83 KCNA5 (0.47) HTTCYP1A2KCNA5ALDH1A1L3MBTL1
SCHEMBL15226408 0.83 KCNA5 (0.47) HTTCYP1A2KCNA5ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 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 (2 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN HTT 3621/4885CYP1A2 3400/4885KCNA5 237/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HTT 3621/4885CYP1A2 3400/4885KCNA5 237/4885

“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.