SCHEMBL534123

SCHEMBL534123

CCOC(=O)C(Cc1ccc(Br)cc1)C(=O)CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.52
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
S1PR4 O95977 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
S1PR1 P21453 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
MME P08473 3/20 0.41
ACE P12821 1/20 0.41
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LDHA P00338 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL27747 0.90 MMP8 (0.58) MMP8MAPK1MEN1S1PR4LMNA
SCHEMBL9710075 0.88 MMP8 (0.50) MMP8MAPK1MEN1S1PR4LMNA
SCHEMBL6421966 0.87 MME (0.45) MEN1KMT2AMMESMN1; SMN2LDHA
SCHEMBL2426124 0.86 MMP8 (0.54) MMP8MAPK1MEN1S1PR4LMNA
SCHEMBL534033 0.84 EPHX2 (0.49) MMP8MEN1LMNAMAPTKMT2A
SCHEMBL3784871 0.84 PPARG (0.49) MMP8MAPK1MEN1LMNAMAPT
SCHEMBL2570738 0.83 LDHA (0.61) MMP8MAPK1MEN1LMNAMAPT
SCHEMBL534859 0.83 ALDH1A1 (0.48) MMP8LMNAKMT2AALDH1A1TP53
SCHEMBL11458354 0.82 MME (0.42) MEN1KMT2AMMESMN1; SMN2LDHA
SCHEMBL1312803 0.81 MMP8 (0.62) MMP8MAPK1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394830-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2013-03-12 US disclosed
CN-101679359-B Quinolines and their therapeutic use ARGENTA DISCOVERY LTD 2013-03-06 CN disclosed
US-20120184579-A1 Quinolines and Their Therapeutic Use GB005, INC. 2012-07-19 US disclosed
US-8173812-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2012-05-08 US disclosed
EP-2129661-B1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-02-08 EP disclosed
EP-2139881-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2011-11-09 EP disclosed
US-20100144787-A1 Quinolines and Their Therapeutic Use GB005, INC. 2010-06-10 US disclosed
US-20100144786-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-06-10 US disclosed
CN-101715441-A Quinoline derivatives as CRTH2 receptor ligands ARGENTA DISCOVERY LTD 2010-05-26 CN disclosed
CN-101679359-A Quinolines and their therapeutic use ARGENTA DISCOVERY LTD 2010-03-24 CN disclosed
EP-2139881-A1 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Oral Therapeutics Limited (GB) 2010-01-06 EP disclosed
EP-2129661-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS Argenta Oral Therapeutics Limited (GB) 2009-12-09 EP disclosed
WO-2008122784-A1 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2008-10-16 WO disclosed
WO-2008119917-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS ARGENTA DISCOVERY LIMITED (GB) 2008-10-09 WO 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 (3 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-20100144786-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS NR1H2, GPR52, HRH2 MMP8 2193/4885MAPK1 1895/4885MEN1 4563/4885
US-20100144787-A1 Quinolines and Their Therapeutic Use CHRM3, CHRM2, HRH1 MMP8 2397/4885MAPK1 1936/4885MEN1 2947/4885
US-20120184579-A1 Quinolines and Their Therapeutic Use HRH1, CHRM2, CHRM3 MMP8 2720/4885MAPK1 2045/4885MEN1 3033/4885

“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.