SCHEMBL4170455

SCHEMBL4170455

CC(C)n1cc(OCC(=O)O)c(=O)c2cc(F)c(NC3CCCCC3)cc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
FOXO1 Q12778 1/20 0.40
PTGDR2 Q9Y5Y4 9/20 0.38
ALDH1A1 P00352 2/20 0.36
PTGDR Q13258 4/20 0.35
HTT P42858 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PTGER2 P43116 1/20 0.33
CNR1 P21554 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
SCHEMBL14248546 0.91 MEN1 (0.48) MEN1GAAKMT2AFOXO1PTGDR2
SCHEMBL4171433 0.87 MEN1 (0.47) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL4171436 0.87 MEN1 (0.47) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL262802 0.86 MEN1 (0.48) MEN1GAAKMT2AFOXO1PTGDR2
SCHEMBL263554 0.86 MEN1 (0.46) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL10146400 0.85 MEN1 (0.50) MEN1GAAKMT2AFOXO1PTGDR2
SCHEMBL9277340 0.85 GAA (0.48) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL262926 0.84 MEN1 (0.49) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL263135 0.83 MEN1 (0.47) MEN1GAAKMT2AFOXO1ALDH1A1
SCHEMBL27763824 0.82 KMT2A (0.48) MEN1GAAKMT2AFOXO1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US disclosed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 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 (2 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 MEN1 3327/4885GAA 4203/4885KMT2A 2966/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 MEN1 2994/4885GAA 4528/4885KMT2A 2967/4885

“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.