SCHEMBL3776009

SCHEMBL3776009

CCS(=O)(=O)c1ccc(CC(C(C)=O)C(=O)SC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.41
RORC P51449 15/20 0.37
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 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
SCHEMBL3785349 0.88 EPHX2 (0.39) MEN1ALDH1A1KMT2A
SCHEMBL3775578 0.80 CYP3A4 (0.40) MEN1KMT2A
SCHEMBL3779844 0.80 TRPA1 (0.39) GAA
SCHEMBL2576380 0.80 MME (0.43) MEN1KMT2A
SCHEMBL533999 0.77 EPHX2 (0.39) ALDH1A1
SCHEMBL2574724 0.70 GCGR (0.41) ALDH1A1
SCHEMBL3787450 0.70 ENPP2 (0.45) MEN1ALDH1A1KMT2A
SCHEMBL9317096 0.68 LDHA (0.52) KMT2A
SCHEMBL17688569 0.68 PSIP1 (0.55) PSIP1RORCGAAALDH1A1
SCHEMBL17695908 0.68 PSIP1 (0.55) PSIP1RORCGAAALDH1A1

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 PSIP1 3066/4885RORC 30/4885GAA 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.