SCHEMBL3779976

SCHEMBL3779976

CC(=O)C(Cc1ccc(S(C)(=O)=O)cc1Cl)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
PTGDR2 Q9Y5Y4 4/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
EPHX2 P34913 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MPO P05164 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4634327 0.93 LMNA (0.42) LMNAALDH1A1MAPTPDK1PDK2
SCHEMBL4634330 0.92 LMNA (0.44) LMNAALDH1A1MAPTPDK1PDK2
SCHEMBL3770643 0.89 CYP3A4 (0.44) LMNAALDH1A1MAPTPDK1PDK2
SCHEMBL3778156 0.87 PDK1 (0.40) LMNAALDH1A1MAPTPDK1PDK2
SCHEMBL3781591 0.82 ALDH1A1 (0.48) LMNAALDH1A1MAPTPDK1PDK2
SCHEMBL13176065 0.82 LMNA (0.44) LMNAALDH1A1MAPTPDK1PDK2
SCHEMBL16163646 0.81 LMNA (0.48) LMNAALDH1A1MAPTPDK1PDK2
SCHEMBL3777240 0.80 ALDH1A1 (0.40) LMNAALDH1A1MAPTPDK1PDK2
SCHEMBL3787305 0.80 PDK1 (0.40) LMNAALDH1A1MAPTPDK1PDK2
SCHEMBL1939686 0.78 LMNA (0.50) LMNAALDH1A1MAPTPDK1PDK2

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 LMNA 3732/4885ALDH1A1 4201/4885MAPT 4787/4885

“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.