SCHEMBL3772833

SCHEMBL3772833

CCOC(=O)C(Cc1ccc(S(C)(=O)=O)cc1)C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.47
ALDH1A1 P00352 2/20 0.42
BACE1 P56817 1/20 0.40
TP53 P04637 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PTPRB P23467 1/20 0.40
NPY1R P25929 1/20 0.39
NPY2R P49146 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
SCHEMBL3780615 0.87 MMP8 (0.46) MMP8ALDH1A1BACE1TP53CA12
SCHEMBL3787450 0.86 ENPP2 (0.45) ALDH1A1PTPRB
SCHEMBL3779327 0.86 MMP8 (0.45) MMP8ALDH1A1BACE1TP53CA12
SCHEMBL19249371 0.85 L3MBTL1 (0.46) MMP8ALDH1A1TP53
SCHEMBL2050344 0.83 MMP8 (0.53) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL5326604 0.83 MMP8 (0.53) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL534070 0.82 ENPP2 (0.39) ALDH1A1
SCHEMBL7696784 0.81 ESR1 (0.51) MMP8ALDH1A1BACE1TP53CA12
SCHEMBL901733 0.80 EPHX2 (0.50) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL2426124 0.80 MMP8 (0.54) MMP8ALDH1A1TP53NPY1RNPY2R

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
EP-1928457-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-12-12 EP disclosed
US-7858640-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-28 US disclosed
US-20090156600-A1 Quinolines and Their Therapeutic Use GB005, INC. 2009-06-18 US disclosed
EP-1928457-A2 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Discovery Limited (GB) 2008-06-11 EP disclosed
WO-2007036743-A2 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2007-04-05 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 (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-20090156600-A1 Quinolines and Their Therapeutic Use NR3C1, NR3C2, NR1H3 MMP8 992/4885ALDH1A1 4201/4885BACE1 3136/4885

“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.