SCHEMBL3374577

SCHEMBL3374577

CCCC(=O)OC[C@@](O)(COS(=O)(=O)c1ccc(C)cc1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
LMNA P02545 1/20 0.37
STAT3 P40763 1/20 0.36
TP53 P04637 1/20 0.35
RAB9A P51151 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
SCHEMBL3374584 1.00 ALDH1A1 (0.40) ALDH1A1HTTSMN1; SMN2MCOLN3NPSR1
SCHEMBL476769 0.86 ALDH1A1 (0.47) ALDH1A1NPSR1MAPTGAAKMT2A
SCHEMBL3374616 0.77 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AMEN1
SCHEMBL8690257 0.77 ALDH1A1 (0.44) ALDH1A1HTTSMN1; SMN2MCOLN3MAPT
SCHEMBL14353045 0.75 ALDH1A1 (0.44) ALDH1A1HTTSMN1; SMN2NPSR1MAPT
SCHEMBL29658223 0.74 ALDH1A1 (0.46) ALDH1A1NPSR1MAPTGAAKMT2A
SCHEMBL30156542 0.74 ALDH1A1 (0.46) ALDH1A1NPSR1MAPTGAAKMT2A
SCHEMBL14460714 0.74 ALDH1A1 (0.46) ALDH1A1NPSR1MAPTGAAKMT2A
SCHEMBL11687039 0.73 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAAKMT2AMEN1
SCHEMBL21748815 0.73 MAPT (0.46) ALDH1A1HTTSMN1; SMN2NPSR1MAPT

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 15 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-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 615/4885HTT 4231/4885SMN1; SMN2 4171/4885
US-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions NR3C1, SERPINA6, PTGS1 ALDH1A1 2121/4885HTT 4551/4885SMN1; SMN2 4794/4885

“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.