SCHEMBL21067889

SCHEMBL21067889

CC#CCOc1ccc(S(=O)(=O)N2CCCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 10/20 0.73
MMP13 P45452 5/20 0.73
MMP8 P22894 2/20 0.73
MMP2 P08253 2/20 0.69
GAA P10253 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
RECQL P46063 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HTT P42858 1/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL8334839 0.84 ADAM17 (1.00) ADAM17MMP13MMP8MMP2
SCHEMBL8334970 0.82 ADAM17 (1.00) ADAM17MMP13MMP8MMP2
SCHEMBL12708189 0.82 ADAM17 (1.00) ADAM17MMP13MMP8MMP2
SCHEMBL8329165 0.82 ADAM17 (1.00) ADAM17MMP13MMP8MMP2
SCHEMBL8334567 0.81 ADAM17 (0.77) ADAM17MMP13MMP8MMP2
SCHEMBL7313611 0.81 ADAM17 (0.65) ADAM17MMP13MMP8MMP2
SCHEMBL14245317 0.79 ADAM17 (0.63) ADAM17MMP13MMP8MMP2
SCHEMBL6261997 0.77 ADAM17 (0.61) ADAM17MMP13MMP8MMP2
SCHEMBL7396462 0.77 ADAM17 (0.65) ADAM17MMP13MMP8MMP2
SCHEMBL3940827 0.76 MMP13 (0.80) ADAM17MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed