SCHEMBL3782853

SCHEMBL3782853

Cc1c(Cc2ccc(S(C)(=O)=O)cc2)c(=O)[nH]c2c(Cl)ccc(O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.41
PTGS1 P23219 3/20 0.41
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
DAO P14920 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.35
ALOX5 P09917 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA6 P23280 2/20 0.33
CA7 P43166 2/20 0.33
CA13 Q8N1Q1 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
NEK1 Q96PY6 1/20 0.32
ENPP2 Q13822 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
SCHEMBL3779299 0.87 DAO (0.40) PTGS2PTGS1DAOALOX5MEN1
SCHEMBL3345036 0.86 PTGS2 (0.41) PTGS2PTGS1DAOPTGDR2MEN1
SCHEMBL3788176 0.86 PTGS2 (0.43) PTGS2PTGS1APOBEC3AAPOBEC3GPTGDR2
SCHEMBL2570492 0.85 CCNE2 (0.38) ALOX5NEK1
SCHEMBL3777859 0.81 PTGS1 (0.36) PTGS2PTGS1APOBEC3AAPOBEC3GDAO
SCHEMBL2574238 0.80 CA1 (0.35) ALOX5CA12CA1CA2CA6
SCHEMBL3772935 0.80 TSHR (0.41) PTGS2PTGS1APOBEC3AAPOBEC3GPTGDR2
SCHEMBL3777002 0.79 PTGS2 (0.36) PTGS2PTGS1APOBEC3AAPOBEC3GDAO
SCHEMBL3784913 0.77 PTGS2 (0.41) PTGS2PTGS1APOBEC3AAPOBEC3GPTGDR2
SCHEMBL3778300 0.76 PSIP1 (0.34) PTGS2PTGS1DAOMEN1KMT2A

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 PTGS2 821/4885PTGS1 584/4885APOBEC3A 4884/4885

“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.