SCHEMBL3980217

SCHEMBL3980217

CCn1cc(C(=O)OC(=O)C(F)(F)F)c(=O)c2cc(SCCN)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
HPGD P15428 5/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 5/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.40
PDE4A P27815 4/20 0.39
PDE4B Q07343 4/20 0.39
PDE4C Q08493 4/20 0.39
PDE4D Q08499 4/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
APEX1 P27695 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
SCHEMBL5479980 0.92 LMNA (0.41) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL4391029 0.92 LMNA (0.43) LMNAHPGDKDM4EALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL3820204 0.87 LMNA (0.59) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL3296598 0.87 LMNA (0.35) LMNAHPGDKDM4EALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL3980213 0.85 KDM4E (0.55) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL3815630 0.85 HPGD (0.48) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL5469836 0.84 LMNA (0.49) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL3982424 0.82 LMNA (0.48) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL3288208 0.81 LMNA (0.33) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL3819899 0.80 LMNA (0.45) LMNAHPGDKDM4EALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628990-B1 NOVEL 14 AND 15 MEMBERED RING COMPOUNDS GLAXO GROUP LTD (GB) 2009-12-02 EP disclosed
US-7569550-B2 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2009-08-04 US disclosed
US-20070213283-A1 Macrolides substituted at the 4\"-position GLAXO GROUP LIMITED (GB) 2007-09-13 US disclosed
US-20070185117-A1 Novel 14 and 15 membrered ring compounds GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070141276-A1 Novel 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
EP-1628988-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-10-04 EP disclosed
EP-1628988-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-01 EP disclosed
EP-1625137-A1 MACROLIDES SUBSTITUTED AT THE 4''-POSITION GLAXO GROUP LIMITED (GB) 2006-02-15 EP disclosed
WO-2004101585-A1 MACROLIDES SUBSTITUDED AT THE 4'-POSITION GLAXO GROUP LIMITED (GB) 2004-11-25 WO disclosed
WO-2004101586-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-11-25 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-20070185117-A1 Novel 14 and 15 membrered ring compounds CYP51A1, LSS, IL17A LMNA 2615/4885HPGD 1267/4885KDM4E 3840/4885
US-20070213283-A1 Macrolides substituted at the 4\"-position IL4, CYP51A1, IL17A LMNA 2144/4885HPGD 2689/4885KDM4E 1543/4885

“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.