SCHEMBL3375398

SCHEMBL3375398

CCCC(=O)OCC(O)(CO)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
DGKA P23743 1/20 0.36
FAAH O00519 8/20 0.33
PAM P19021 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
DUSP3 P51452 1/20 0.33
LMNA P02545 1/20 0.33
CES1 P23141 6/20 0.33
CYP1A2 P05177 2/20 0.32
CES2 O00748 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL3375395 1.00 ALDH1A1 (0.39) ALDH1A1DGKAFAAHPAMMEN1
SCHEMBL3375392 1.00 ALDH1A1 (0.39) ALDH1A1DGKAFAAHPAMMEN1
SCHEMBL3374616 0.91 ALDH1A1 (0.43) ALDH1A1DGKAFAAHPAMMEN1
SCHEMBL14204590 0.79 ALDH1A1 (0.43) ALDH1A1DGKAFAAHPAMMEN1
SCHEMBL2691147 0.77 ALDH1A1 (0.44) ALDH1A1DGKAFAAHPAMMEN1
SCHEMBL67892 0.77 ALDH1A1 (0.48) ALDH1A1DGKAFAAHPAMMEN1
SCHEMBL13856068 0.76 ALDH1A1 (0.43) ALDH1A1DGKAFAAHPAMMEN1
SCHEMBL8863605 0.75 ALDH1A1 (0.46) ALDH1A1DGKAPAMMEN1KMT2A
SCHEMBL723849 0.75 ALDH1A1 (0.46) ALDH1A1DGKAPAMMEN1KMT2A
SCHEMBL13069324 0.74 ALDH1A1 (0.41) ALDH1A1DGKAPAMLMNACES1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions GLAXO GROUP LIMITED 2012-11-01 US disclosed
US-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions GLAXO GROUP LIMITED 2012-11-01 US disclosed
US-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions GLAXO GROUP LIMITED 2012-11-01 US disclosed
US-8247377-B2 Non-steroidal glucocorticoid inhibitors and their use in treating inflammation, allergy and auto-immune conditions GLAXO GROUP LIMITED (GB) 2012-08-21 US disclosed
US-8247377-B2 Non-steroidal glucocorticoid inhibitors and their use in treating inflammation, allergy and auto-immune conditions GLAXO GROUP LIMITED (GB) 2012-08-21 US disclosed
US-8247377-B2 Non-steroidal glucocorticoid inhibitors and their use in treating inflammation, allergy and auto-immune conditions GLAXO GROUP LIMITED (GB) 2012-08-21 US disclosed
EP-2029549-B1 PHENYL-PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORICOID RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2010-11-10 EP disclosed
EP-2029549-B1 PHENYL-PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORICOID RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2010-11-10 EP disclosed
US-20100234441-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-09-16 US disclosed
US-20100234441-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-09-16 US disclosed
US-20100234441-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-09-16 US disclosed
EP-2029549-A2 PHENYL-PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORICOID RECEPTOR LIGANDS Glaxo Group Limited (GB) 2009-03-04 EP disclosed
WO-2008000777-A2 PHENYL- PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE GLAXO GROUP LIMITED (GB) 2008-01-03 WO disclosed
WO-2008000777-A2 PHENYL- PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE GLAXO GROUP LIMITED (GB) 2008-01-03 WO disclosed
WO-2007144327-A2 PHENYL-PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-12-21 WO disclosed
WO-2007144327-A2 PHENYL-PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-12-21 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 (2 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-20100234441-A1 NOVEL COMPOUNDS LTB4R2, TSLP, LTB4R ALDH1A1 615/4885DGKA 2012/4885FAAH 645/4885
US-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions NR3C1, SERPINA6, PTGS1 ALDH1A1 2121/4885DGKA 2156/4885FAAH 850/4885

“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.