SCHEMBL3348846

SCHEMBL3348846

COC(=O)COc1ccc(F)c2[nH]c(=O)c(Cc3ccc(S(C)(=O)=O)cc3)c(C)c12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 2/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPT P10636 1/20 0.33
CMA1 P23946 1/20 0.33
ALOX15 P16050 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
SCHEMBL3770710 0.92 TSHR (0.37) TSHRALDH1A1HTTGAASMN1; SMN2
SCHEMBL3778865 0.89 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL3772935 0.89 TSHR (0.41) TSHRPTGS1PTGS2ALDH1A1HTT
SCHEMBL3351461 0.89 ALDH1A1 (0.37) TSHRPTGS2ALDH1A1HTTGAA
SCHEMBL3778049 0.86 TSHR (0.40) TSHRPTGS1PTGS2ALDH1A1HTT
SCHEMBL2575735 0.84 ALDH1A1 (0.35) ALDH1A1GAASMN1; SMN2KDM4EHPGD
SCHEMBL3779431 0.84 PTGDR2 (0.37) TSHRPTGS1PTGS2ALDH1A1HTT
SCHEMBL3346044 0.81 TSHR (0.37) TSHRALDH1A1HTTGAASMN1; SMN2
SCHEMBL2571339 0.80 PTGDR2 (0.50) KDM4EPTGDR2
SCHEMBL3772138 0.80 ALDH1A1 (0.41) TSHRALDH1A1HTTGAASMN1; SMN2

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 6 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
WO-2010040989-A1 QUINOLIN-2-ONE COMPOUNDS ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-04-15 WO 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 TSHR 73/4885PTGS1 584/4885PTGS2 821/4885

“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.