SCHEMBL4476624

SCHEMBL4476624

CC(C)c1ccc2c(c1)N(C(C)C)S(=O)(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.45
NR1H3 Q13133 1/20 0.32
HPGD P15428 1/20 0.31
GFER P55789 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RNASEH1 O60930 1/20 0.31
LMNA P02545 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
TYR P14679 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
TRPA1 O75762 1/20 0.30
PTGS1 P23219 1/20 0.30
CACNA1C Q13936 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
SCHEMBL15457686 0.68 LMNA (0.36) KDM4EHPGDGFERHSD17B10RNASEH1
SCHEMBL11565434 0.65 KDM4E (0.64) KDM4ERECQLHPGDHSD17B10CYP1A2
SCHEMBL23078990 0.65 KDM4E (0.64) KDM4ERECQLTRPA1
SCHEMBL23079014 0.65 KDM4E (0.64) KDM4ERECQL
SCHEMBL23079048 0.65 KDM4E (0.64) KDM4ERECQL
SCHEMBL15457687 0.65 HPGD (0.40) KDM4EHPGDGFERHSD17B10RNASEH1
SCHEMBL15457668 0.63 HPGD (0.42) NR1H3HPGDGFERHSD17B10RNASEH1
SCHEMBL17807797 0.62 BRPF1 (0.41) KDM4ENR1H3HPGDGFERHSD17B10
SCHEMBL15457665 0.62 HPGD (0.38) KDM4EHPGDGFERHSD17B10RNASEH1
SCHEMBL27441523 0.62 KIF11 (0.38) KDM4EHPGDGFERHSD17B10RNASEH1

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-7601744-B2 Benzothiadiazolylphenylalkylamine derivatives and methods of their use WYETH (US) 2009-10-13 US disclosed
US-20070072918-A1 Benzothiadiazolylphenylalkylamine derivatives and methods of their use WYETH (US) 2007-03-29 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-20070072918-A1 Benzothiadiazolylphenylalkylamine derivatives and methods of their use GLS, SLC6A4, SLC6A3 KDM4E 1520/4885RECQL 733/4885NR1H3 3311/4885

“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.