SCHEMBL4180150

SCHEMBL4180150

CCc1ccc(-c2[nH]c3ccccc3c2C(=O)C(=O)OC)cc1S(=O)(=O)NC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 3/20 0.41
BRD4 O60885 4/20 0.41
CCR8 P51685 2/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BRD3 Q15059 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL5510540 0.90 BRD4 (0.48) BRD4HTTBRD3MEN1KMT2A
SCHEMBL2875900 0.89 BRD4 (0.48) TLR8TLR7ALDH1A1ALOX15POLB
SCHEMBL5511872 0.89 BRD4 (0.52) TLR8TLR7ALDH1A1POLBBRD4
SCHEMBL5518928 0.87 ALDH1A1 (0.45) ALDH1A1ALOX15POLBBRD4CCR8
SCHEMBL2878378 0.85 TLR8 (0.45) TLR8TLR7ALDH1A1ALOX15POLB
SCHEMBL5508167 0.85 MEN1 (0.47) ALDH1A1GAAKDM4EMEN1KMT2A
SCHEMBL5510725 0.84 ALDH1A1 (0.49) ALDH1A1ALOX15BRD4GAAHTT
SCHEMBL2876476 0.83 ALDH1A1 (0.43) TLR8TLR7ALDH1A1ALOX15BRD4
SCHEMBL27772021 0.82 TLR8 (0.42) TLR8TLR7ALDH1A1ALOX15POLB
SCHEMBL5508905 0.80 BRD4 (0.48) TLR8TLR7ALDH1A1ALOX15BRD4

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-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2009-07-09 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-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, CYSLTR2 TLR8 910/4885TLR7 669/4885ALDH1A1 1757/4885

“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.