SCHEMBL3776109

SCHEMBL3776109

CC(=O)C(Cc1ccc(F)cc1Cl)C(=O)SC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
MDM2 Q00987 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
P2RX7 Q99572 10/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 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
SCHEMBL3781699 0.87 RIPK1 (0.41) ALDH1A1
SCHEMBL3778222 0.82 MC4R (0.34) MDM2ALDH1A1CYP3A4CYP2C9TP53
SCHEMBL3779844 0.78 TRPA1 (0.39) KDM4EHPGDMAPK1
SCHEMBL29660187 0.77 L3MBTL1 (0.48) L3MBTL1POLBMDM2HTTSMN1; SMN2
SCHEMBL29660103 0.76 CYP3A4 (0.49) L3MBTL1POLBMDM2HTTSMN1; SMN2
SCHEMBL3775578 0.72 CYP3A4 (0.40) L3MBTL1MDM2HTTSMN1; SMN2SLC6A2
SCHEMBL3775842 0.69 PYGL (0.41) L3MBTL1POLBMDM2HTTSMN1; SMN2
SCHEMBL24173290 0.68 L3MBTL1 (0.48) L3MBTL1POLBHTTSMN1; SMN2P2RX7
SCHEMBL30941510 0.68 L3MBTL1 (0.48) L3MBTL1POLBHTTSMN1; SMN2P2RX7
SCHEMBL17946854 0.68 SLC6A2 (0.41) L3MBTL1POLBSMN1; SMN2P2RX7SLC6A2

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 L3MBTL1 3442/4885POLB 3247/4885MDM2 4600/4885

“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.