SCHEMBL3781699

SCHEMBL3781699

CC(=O)C(Cc1ccc(F)cc1F)C(=O)SC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.41
MAOB P27338 1/20 0.39
DPP4 P27487 5/20 0.36
DPP7 Q9UHL4 4/20 0.36
DPP8 Q6V1X1 3/20 0.33
IDO1 P14902 2/20 0.33
AGXT P21549 2/20 0.33
DPP9 Q86TI2 2/20 0.33
FAP Q12884 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
PKM P14618 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
SCHEMBL3776109 0.87 L3MBTL1 (0.38) ALDH1A1
SCHEMBL3778222 0.87 MC4R (0.34) ALDH1A1
SCHEMBL3779844 0.80 TRPA1 (0.39) RIPK1
SCHEMBL6317677 0.76 MAOB (0.45) RIPK1MAOBDPP4DPP7IDO1
SCHEMBL14271135 0.72 DPP4 (0.48) RIPK1MAOBDPP4DPP7DPP8
SCHEMBL31118069 0.71 PKM (0.46) RIPK1MAOBDPP4DPP7IDO1
SCHEMBL19046405 0.70 ALDH1A1 (0.49) RIPK1MAOBDPP4DPP7IDO1
SCHEMBL3775578 0.69 CYP3A4 (0.40)
SCHEMBL2576380 0.69 MME (0.43) MAOB
SCHEMBL3778904 0.69 MAPT (0.43) MAOBALDH1A1PKM

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 RIPK1 2289/4885MAOB 2935/4885DPP4 4611/4885

“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.