SCHEMBL3779844

SCHEMBL3779844

CC(=O)C(Cc1ccc(F)cc1)C(=O)SC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.39
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RIPK1 Q13546 2/20 0.36
CPA1 P15085 1/20 0.36
MME P08473 2/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ACE P12821 1/20 0.36
LDHA P00338 1/20 0.35

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
SCHEMBL3775578 0.85 CYP3A4 (0.40) MMEACE
SCHEMBL2576380 0.85 MME (0.43) MMECTSSCTSKLDHA
SCHEMBL6695045 0.82 TRPA1 (0.50) TRPA1HPGDGAAMAPK1CPA1
SCHEMBL3785349 0.81 EPHX2 (0.39) HPGDACE
SCHEMBL533999 0.81 EPHX2 (0.39) ACE
SCHEMBL3781699 0.80 RIPK1 (0.41) RIPK1
SCHEMBL3776009 0.80 PSIP1 (0.41) GAA
SCHEMBL6312723 0.79 CPA1 (0.50) TRPA1GAAMAPK1CPA1ACE
SCHEMBL3776109 0.78 L3MBTL1 (0.38) HPGDMAPK1KDM4E
SCHEMBL2574724 0.77 GCGR (0.41) MAPK1KDM4E

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 TRPA1 1264/4885HPGD 1772/4885GAA 4744/4885

“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.