SCHEMBL3600455

SCHEMBL3600455

COc1cc(CC(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3ccccc3Cl)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.42
CCR5 P51681 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
MAPK1 P28482 1/20 0.34
KCNJ1 P48048 1/20 0.34
EPHX2 P34913 1/20 0.33
HRH2 P25021 1/20 0.33
UTS2R Q9UKP6 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
SCHEMBL3600449 1.00 SLC22A12 (0.42) SLC22A12CCR5S1PR1S1PR5SIGMAR1
SCHEMBL3596388 0.94 SIGMAR1 (0.39) CCR5SIGMAR1KDM4EALDH1A1HTT
SCHEMBL3598163 0.93 CCR5 (0.35) SLC22A12CCR5SIGMAR1KDM4EALDH1A1
SCHEMBL3598166 0.93 CCR5 (0.35) SLC22A12CCR5SIGMAR1KDM4EALDH1A1
SCHEMBL3592303 0.93 SLC22A12 (0.36) SLC22A12CCR5SIGMAR1KDM4EALDH1A1
SCHEMBL3604639 0.93 SLC22A12 (0.36) SLC22A12CCR5SIGMAR1KDM4EALDH1A1
SCHEMBL13254249 0.93 POLB (0.36) SLC22A12CCR5S1PR1S1PR5SIGMAR1
SCHEMBL3592151 0.92 MEN1 (0.40) CCR5SIGMAR1KDM4EALDH1A1HTT
SCHEMBL3592156 0.92 MEN1 (0.40) CCR5SIGMAR1KDM4EALDH1A1HTT
SCHEMBL3601167 0.91 ACHE (0.37) CCR5SIGMAR1KDM4EALDH1A1HTT

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 2 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
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 SLC22A12 3061/4885CCR5 958/4885S1PR1 2162/4885

“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.