SCHEMBL3587450

SCHEMBL3587450

CCC(SC)(C(=O)O)c1cc(OC)c(OC2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)c(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
CCR5 P51681 1/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
ALOX5 P09917 1/20 0.33
MAOA P21397 1/20 0.33
KCNJ1 P48048 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
CRHBP P24387 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
ABCB1 P08183 1/20 0.32

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
SCHEMBL3591945 0.88 CCR5 (0.38) MAPK1CCR5BCHEACHEALOX5
SCHEMBL13254387 0.88 SIGMAR1 (0.38) MAPK1CCR5SIGMAR1MEN1KMT2A
SCHEMBL3601205 0.87 ALDH1A1 (0.38) MAPK1CCR5BCHEACHEALOX5
SCHEMBL3605012 0.87 MAPK1 (0.34) MAPK1CCR5BCHEACHEALOX5
SCHEMBL3587922 0.86 MAPK1 (0.37) MAPK1CCR5BCHEACHEKCNJ1
SCHEMBL13254284 0.86 MAPK1 (0.33) MAPK1CCR5SIGMAR1MAPTGAA
SCHEMBL3594027 0.85 MAPK1 (0.34) MAPK1CCR5KCNJ1SIGMAR1PGR
SCHEMBL3590604 0.85 ACHE (0.41) BCHEACHEMAOA
SCHEMBL3590611 0.85 ACHE (0.41) BCHEACHEMAOA
SCHEMBL13254362 0.85 MAPK1 (0.36) MAPK1CCR5BCHEACHEKCNJ1

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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 MAPK1 703/4885CCR5 958/4885BCHE 3002/4885

“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.