SCHEMBL7141063

SCHEMBL7141063

CCc1cccc2c1nc(-c1c(F)cccc1F)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.42
ALDH3A1 P30838 4/20 0.41
PLA2G2A P14555 1/20 0.39
NOD1 Q9Y239 4/20 0.39
CXCL8 P10145 2/20 0.39
TSHR P16473 3/20 0.38
GAA P10253 2/20 0.38
NOD2 Q9HC29 2/20 0.37
HTR1A P08908 2/20 0.37
HTR7 P34969 2/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR1F P30939 1/20 0.37
DRD3 P35462 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL5202769 0.86 HTR6 (0.44) HTR6ALDH3A1NOD1CXCL8TSHR
SCHEMBL5201003 0.80 NOD1 (0.57) ALDH3A1NOD1CXCL8TSHRGAA
SCHEMBL5204113 0.75 TLR8 (0.43) TSHRGAAALDH1A1TP53MAPK1
SCHEMBL28143695 0.73 NR1H2 (0.51) HTR6ALDH3A1NOD1CXCL8GAA
SCHEMBL6423392 0.69 HTR6 (0.50) HTR6PLA2G2AHTR1AHTR7HTR1D
SCHEMBL29808399 0.68 ALDH3A1 (0.46) HTR6ALDH3A1NOD1CXCL8GAA
SCHEMBL5202583 0.65 TP53 (0.39) GAAALDH1A1TP53MAPK1HTT
SCHEMBL14540341 0.64 TLR8 (0.40) GAAALDH1A1TP53MAPK1HTT
SCHEMBL28144728 0.63 NR1H2 (0.51) HTR6ALDH3A1NOD1CXCL8GAA
SCHEMBL28144740 0.63 NR1H2 (0.51) HTR6ALDH3A1NOD1CXCL8GAA

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-20030191160-A1 Substituted benzimidazoles as non-nucleoside inhibitors of reverse transcriptase MICHEJDA CHRISTOPHER J (US) 2003-10-09 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-20030191160-A1 Substituted benzimidazoles as non-nucleoside inhibitors of reverse transcriptase SAMHD1, DUT, TYMP HTR6 2269/4885ALDH3A1 417/4885PLA2G2A 4654/4885

“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.