SCHEMBL262802

SCHEMBL262802

CC(C)n1cc(O[C@@H](C)C(=O)O)c(=O)c2cc(F)c(NC3CCCCC3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
FOXO1 Q12778 1/20 0.39
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
PTGDR Q13258 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CASP3 P42574 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCR4 P51679 1/20 0.32
ALOX15 P16050 1/20 0.32
HPGD P15428 1/20 0.32
DHODH Q02127 1/20 0.32
CREBBP Q92793 1/20 0.32
PPOX P50336 1/20 0.32
S1PR3 Q99500 1/20 0.32
EGLN1 Q9GZT9 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
SCHEMBL262926 0.90 MEN1 (0.49) MEN1GAAKMT2AFOXO1PTGS1
SCHEMBL14248150 0.87 MEN1 (0.48) MEN1GAAKMT2AFOXO1PTGS1
SCHEMBL261692 0.87 MEN1 (0.48) MEN1GAAKMT2AFOXO1PTGS1
SCHEMBL9277340 0.86 GAA (0.48) MEN1GAAKMT2AFOXO1NPSR1
SCHEMBL4170455 0.86 MEN1 (0.49) MEN1GAAKMT2AFOXO1PTGS1
SCHEMBL261426 0.86 MEN1 (0.44) MEN1GAAKMT2AFOXO1ALOX15
SCHEMBL263553 0.85 MEN1 (0.47) MEN1GAAKMT2AFOXO1PTGS1
SCHEMBL27763824 0.83 KMT2A (0.48) MEN1GAAKMT2AFOXO1PTGS1
SCHEMBL14248546 0.83 MEN1 (0.48) MEN1GAAKMT2AFOXO1PTGS1
SCHEMBL4171436 0.83 MEN1 (0.47) MEN1GAAKMT2AFOXO1PTGS1

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 11 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 claimed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US claimed
EP-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 EP claimed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 US claimed
EP-1995240-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 EP claimed
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-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
EP-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 EP 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.