SCHEMBL533963

SCHEMBL533963

CCOC(=O)C(Cc1cccc(S(C)(=O)=O)c1)C(=O)CC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.45
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NR1H2 P55055 3/20 0.41
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PKM P14618 1/20 0.37
NR1H3 Q13133 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
SCHEMBL3780615 0.84 MMP8 (0.46) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL31753168 0.82 SLC7A5 (0.42) ALDH1A1NR1H2GAAHSD17B10SMN1; SMN2
SCHEMBL18917606 0.77 MMP8 (0.59) MMP8ALDH1A1TP53MAPK1L3MBTL1
SCHEMBL4867203 0.76 NR1H2 (0.40) ALDH1A1TP53NR1H2GAAHSD17B10
SCHEMBL9026247 0.75 PTGS1 (0.45) ALDH1A1L3MBTL1TSHRNR1H2GAA
SCHEMBL9592092 0.75 PPARG (0.48) MMP8ALDH1A1TP53MAPK1L3MBTL1
SCHEMBL17604992 0.73 ALDH1A1 (0.63) MMP8ALDH1A1TP53MAPK1L3MBTL1
SCHEMBL3779962 0.73 PTPRB (0.51) MMP8ALDH1A1CA12CA1CA2
SCHEMBL10129707 0.73 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10SMN1; SMN2CA12
SCHEMBL2428822 0.73 SMN1; SMN2 (0.52) MMP8ALDH1A1TP53MAPK1L3MBTL1

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-2129661-B1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-02-08 EP 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
EP-2129661-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS Argenta Oral Therapeutics Limited (GB) 2009-12-09 EP 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 (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-20100144786-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS NR1H2, GPR52, HRH2 MMP8 2193/4885ALDH1A1 2924/4885TP53 3859/4885

“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.