SCHEMBL4923779

SCHEMBL4923779

Cc1ccc(S(=O)(=O)OC[C@H]2C[C@]2(CN)c2ccc3ccccc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
ENPP2 Q13822 1/20 0.37
SLC6A4 P31645 6/20 0.37
SLC6A3 Q01959 6/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC6A2 P23975 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
KAT6A Q92794 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL30991370 0.82 HTT (0.39) HTTLMNASMN1; SMN2PKMSLC6A4
SCHEMBL4923773 0.82 HTT (0.39) HTTLMNASMN1; SMN2PKMSLC6A4
SCHEMBL13698136 0.72 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2
SCHEMBL8220956 0.72 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2
SCHEMBL4185668 0.72 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2
SCHEMBL14255648 0.72 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2
SCHEMBL8214880 0.72 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2
SCHEMBL13698137 0.72 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2
SCHEMBL4912928 0.72 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2
SCHEMBL8216818 0.72 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2

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-20080058535-A1 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1 ARYL-3-AZABICYCLO[3.1.0]HEXANES DOV PHARMACEUTICAL, INC. 2008-03-06 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-20080058535-A1 METHODS AND COMPOSITIONS FOR PRODUCTION, FORMULATION AND USE OF 1 ARYL-3-AZABICYCLO[3.1.0]HEXANES CYP1B1, CYP2B6, CYP2D6 HTT 119/4885LMNA 4169/4885SMN1; SMN2 3017/4885

“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.