SCHEMBL3784913

SCHEMBL3784913

Cc1c(Cc2ccc(S(C)(=O)=O)cc2Cl)c(=O)[nH]c2c(F)ccc(O)c12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.41
PTGS1 P23219 6/20 0.40
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
NEK1 Q96PY6 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR3C1 P04150 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
SCHEMBL3788176 0.91 PTGS2 (0.43) PTGS2PTGS1KDM4EL3MBTL1APOBEC3A
SCHEMBL3785180 0.87 KDM4E (0.47) PTGS1KDM4EL3MBTL1NEK1MEN1
SCHEMBL3776982 0.86 KDM4E (0.39) KDM4EL3MBTL1NEK1MEN1KMT2A
SCHEMBL3345036 0.83 PTGS2 (0.41) PTGS2PTGS1PTGDR2MEN1KMT2A
SCHEMBL3773243 0.82 PTGS2 (0.37) PTGS2PTGS1KDM4EL3MBTL1PTGDR2
SCHEMBL3778049 0.82 TSHR (0.40) PTGS2PTGS1L3MBTL1APOBEC3AAPOBEC3G
SCHEMBL3779905 0.82 KDM4E (0.38) KDM4EL3MBTL1NEK1MEN1KMT2A
SCHEMBL3782767 0.79 PTGS1 (0.41) PTGS2PTGS1KDM4ENEK1
SCHEMBL3782853 0.77 PTGS2 (0.41) PTGS2PTGS1L3MBTL1APOBEC3AAPOBEC3G
SCHEMBL3344884 0.76 SLC2A1 (0.39) PTGS2PTGS1MEN1KMT2AALDH1A1

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 7 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
CN-101316591-B Quinoline compound and pharmaceutical application thereof ARGENTA ORAL THERAPEUTICS LTD. (GB) 2012-02-01 CN 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
CN-101316591-A Quinolines and their therapeutic use ARGENTA DISCOVERY LTD (GB) 2008-12-03 CN 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 584/4885KDM4E 4638/4885

“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.