SCHEMBL3787450

SCHEMBL3787450

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.45
PTGS2 P35354 1/20 0.41
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
LDHA P00338 1/20 0.41
EPHX1 P07099 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
LMNA P02545 2/20 0.40
AKR1C3 P42330 1/20 0.40
GSR P00390 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
PTPRB P23467 1/20 0.40

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
SCHEMBL3351530 0.90 ENPP2 (0.40) ENPP2PTGS2EPHX2NR1H4LDHA
SCHEMBL534070 0.89 ENPP2 (0.39) ENPP2PTGS2EPHX2NR1H4EPHX1
SCHEMBL3351536 0.89 ITGB1 (0.41) ENPP2PTGS2EPHX2NR1H4LDHA
SCHEMBL15647871 0.87 LDHA (0.55) ENPP2PTGS2EPHX2NR1H4LDHA
SCHEMBL3772833 0.86 MMP8 (0.47) ALDH1A1PTPRB
SCHEMBL9317096 0.84 LDHA (0.52) PTGS2LDHAEPHX1LMNAAKR1C3
SCHEMBL3785349 0.83 EPHX2 (0.39) ENPP2PTGS2EPHX2NR1H4EPHX1
SCHEMBL3783037 0.82 ENPP2 (0.42) ENPP2PTGS2EPHX2NR1H4LDHA
SCHEMBL20488268 0.81 ALDH1A1 (0.47) LMNAALDH1A1SMN1; SMN2TSHR
SCHEMBL19899914 0.79 SLC7A5 (0.61) PTGS2LMNAMEN1ALDH1A1KMT2A

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 6 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
WO-2004096808-A1 TRIAZINE COMPOUNDS AND THEIR USE DE NOVO PHARMACEUTICALS LIMITED (GB) 2004-11-11 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 ENPP2 234/4885PTGS2 821/4885EPHX2 1169/4885

“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.