SCHEMBL4169902

SCHEMBL4169902

COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC(O)C2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.69
MAPT P10636 1/20 0.60
LMNA P02545 4/20 0.59
TSHR P16473 3/20 0.59
HSD17B10 Q99714 3/20 0.59
USP2 O75604 1/20 0.59
GLA P06280 1/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 2/20 0.57
POLB P06746 1/20 0.57
PKM P14618 1/20 0.57
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KDM4E B2RXH2 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL3830421 0.86 GPBAR1 (0.90) GPBAR1MAPTLMNATSHRHSD17B10
SCHEMBL4184681 0.86 GPBAR1 (0.90) GPBAR1MAPTLMNATSHRHSD17B10
SCHEMBL4190622 0.86 GPBAR1 (0.69) GPBAR1MAPTLMNATSHRHSD17B10
SCHEMBL4187141 0.82 GPBAR1 (0.64) GPBAR1MAPTLMNATSHRHSD17B10
SCHEMBL4194165 0.82 GPBAR1 (0.64) GPBAR1MAPTLMNATSHRHSD17B10
Sb-756050 SCHEMBL4174350 0.82 GPBAR1 (1.00) GPBAR1MAPTLMNATSHRHSD17B10
SCHEMBL6367892 0.80 GPBAR1 (0.97) GPBAR1MAPTLMNATSHRHSD17B10
SCHEMBL7209087 0.80 GPBAR1 (0.91) GPBAR1LMNATSHRHSD17B10USP2
SCHEMBL4187995 0.79 GPBAR1 (0.73) GPBAR1MAPTLMNATSHRHSD17B10
SCHEMBL4174434 0.79 GPBAR1 (0.78) GPBAR1MAPTLMNATSHRHSD17B10

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-20090069302-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 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-20090069302-A1 CHEMICAL COMPOUNDS TBXA2R, PDE4D, PDE4A GPBAR1 81/4885MAPT 1286/4885LMNA 3674/4885

“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.