SCHEMBL792961

SCHEMBL792961

CCCCCc1ccccc1S(=O)(=O)C(=O)c1cn(S(=O)(=O)c2ccccc2)c(CCCCC)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.35
AGTR1 P30556 4/20 0.33
AGTR2 P50052 4/20 0.33
BID P55957 3/20 0.33
MCL1 Q07820 3/20 0.33
BCL2L1 Q07817 2/20 0.33
BAK1 Q16611 2/20 0.33
KAT8 Q9H7Z6 2/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
EP300 Q09472 1/20 0.33
KAT2A Q92830 1/20 0.33
KAT2B Q92831 1/20 0.33

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
SCHEMBL726891 0.81 MEN1 (0.41) HTR6AGTR1AGTR2ATMSMN1; SMN2
SCHEMBL725696 0.74 SMN1; SMN2 (0.39) HTR6AGTR1AGTR2ATMSMN1; SMN2
SCHEMBL725665 0.69 PTGDR2 (0.35) BIDMCL1BCL2L1BAK1
SCHEMBL726112 0.67 TSHR (0.52) AGTR1AGTR2ATMSMN1; SMN2KMT2A
SCHEMBL11143339 0.66 LIPG (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL11137516 0.66 LIPG (0.51) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL29577175 0.66 HTR6 (0.69) HTR6DRD2HTR7
SCHEMBL28050271 0.66 LIPG (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL906430 0.65 LIPG (0.53) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL906515 0.65 LIPG (0.53) BIDMCL1BCL2L1BAK1KAT8

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-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2012-03-22 US disclosed
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2011-10-20 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-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 HTR6 4243/4885AGTR1 2987/4885AGTR2 3340/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 HTR6 4243/4885AGTR1 2987/4885AGTR2 3340/4885

“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.