SCHEMBL3785349

SCHEMBL3785349

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
EPHX1 P07099 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
ACE P12821 1/20 0.36
ENPP2 Q13822 1/20 0.35
PTGS2 P35354 1/20 0.34
KCNJ1 P48048 1/20 0.34
KCNH2 Q12809 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
AKR1C3 P42330 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSF Q9UBX1 1/20 0.33

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
SCHEMBL3776009 0.88 PSIP1 (0.41) MEN1ALDH1A1KMT2A
SCHEMBL3787450 0.83 ENPP2 (0.45) EPHX2NR1H4EPHX1ITGB1ITGA4
SCHEMBL3775578 0.81 CYP3A4 (0.40) ACESMN1; SMN2MEN1LMNAKMT2A
SCHEMBL2576380 0.81 MME (0.43) EPHX1MEN1LMNAKMT2A
SCHEMBL3779844 0.81 TRPA1 (0.39) ACEHPGD
SCHEMBL3778156 0.80 PDK1 (0.40) EPHX2MEN1ALDH1A1LMNAKMT2A
SCHEMBL3351530 0.78 ENPP2 (0.40) EPHX2NR1H4EPHX1ITGB1ITGA4
SCHEMBL533999 0.78 EPHX2 (0.39) EPHX2ACEALDH1A1
SCHEMBL534070 0.77 ENPP2 (0.39) EPHX2NR1H4EPHX1ITGB1ITGA4
SCHEMBL3351536 0.77 ITGB1 (0.41) EPHX2NR1H4EPHX1ITGB1ITGA4

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 EPHX2 1169/4885NR1H4 39/4885EPHX1 1050/4885

“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.