SCHEMBL3592767

SCHEMBL3592767

COc1cc(CC(=O)O)ccc1OC1CCN(CC(O)(c2cn(-c3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.36
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PLA2G4A P47712 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.34
LMNA P02545 1/20 0.33
KCNJ1 P48048 1/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL13254401 0.93 CCR5 (0.34) CCR5MAPK1SMN1; SMN2POLBPKM
SCHEMBL3596388 0.90 SIGMAR1 (0.39) CCR5MAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL3592297 0.88 CYP2D6 (0.37) CCR5MAPK1PLA2G4AKMT2AMEN1
SCHEMBL3592295 0.88 CYP2D6 (0.37) CCR5MAPK1PLA2G4AKMT2AMEN1
SCHEMBL3585805 0.88 AKR1C3 (0.37) CCR5SMN1; SMN2PLA2G4AKMT2AMEN1
SCHEMBL3585808 0.88 AKR1C3 (0.37) CCR5SMN1; SMN2PLA2G4AKMT2AMEN1
SCHEMBL3597876 0.88 PTGDR2 (0.35) CCR5MAPK1PKMKMT2AMEN1
SCHEMBL3590556 0.87 KMT2A (0.38) CCR5MAPK1PLA2G4AKMT2AMEN1
SCHEMBL3598166 0.87 CCR5 (0.35) CCR5MAPK1SMN1; SMN2POLBKMT2A
SCHEMBL3598163 0.87 CCR5 (0.35) CCR5MAPK1SMN1; SMN2POLBKMT2A

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 5 patents. 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
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP 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 CCR5 958/4885MAPK1 703/4885SMN1; SMN2 4722/4885

“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.