SCHEMBL3587526

SCHEMBL3587526

COc1cc(C(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.39
PLA2G4A P47712 1/20 0.38
LTB4R Q15722 1/20 0.38
TTR P02766 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37

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
SCHEMBL3592312 0.93 MAPT (0.37) CCR5MEN1KMT2APOLBALDH1A1
SCHEMBL3591945 0.93 CCR5 (0.38) CCR5PLA2G4ALTB4RALDH1A1
SCHEMBL3587915 0.92 MAPK1 (0.41) CCR5MEN1KMT2AALDH1A1
SCHEMBL14160060 0.92 CACNA1C (0.38) CCR5ALDH1A1
SCHEMBL3598390 0.92 PDE4A (0.41) CCR5MEN1KMT2APOLB
SCHEMBL3596388 0.91 SIGMAR1 (0.39) CCR5MEN1KMT2AKDM4EALDH1A1
SCHEMBL3585336 0.91 ALDH1A1 (0.41) CCR5MEN1KMT2AKDM4EALDH1A1
SCHEMBL3602980 0.91 ACHE (0.36) CCR5KMT2APOLBKDM4EALDH1A1
SCHEMBL3594810 0.91 MEN1 (0.39) CCR5MEN1KMT2APOLB
SCHEMBL3586831 0.90 CCR5 (0.37) CCR5KDM4EALDH1A1

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 958/4885PLA2G4A 2410/4885LTB4R 218/4885

“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.