SCHEMBL4388689

SCHEMBL4388689

N#CCCOCCNc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPT P10636 1/20 0.50
CYP1A2 P05177 1/20 0.48
TOP2A P11388 1/20 0.48
CYP2C9 P11712 1/20 0.48
TOP2B Q02880 1/20 0.48
KCNH2 Q12809 1/20 0.47
GSK3B P49841 3/20 0.46
PIK3CG P48736 4/20 0.43
PIK3CD O00329 3/20 0.43
PIK3R1 P27986 3/20 0.43
PIK3CA P42336 3/20 0.43
TOP1 P11387 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL3814640 0.89 KDM4E (0.53) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3819280 0.89 KDM4E (0.53) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL5476813 0.88 KDM4E (0.52) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3819196 0.88 KDM4E (0.52) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4392698 0.88 KDM4E (0.40) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3815682 0.87 KDM4E (0.52) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3812752 0.87 KDM4E (0.40) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL14048258 0.84 HPGD (0.52) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3814971 0.83 TOP1 (0.43) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL3975715 0.83 KDM4E (0.58) KDM4EALDH1A1LMNAHPGDHSD17B10

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 9 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-20080221158-A1 Novel 14 and 15 Membered Ring Compounds PLIVA - Istrazivacki Institut d.o.o 2008-09-11 US disclosed
US-7351696-B2 Compounds GLAXO GROUP LIMITED (GB) 2008-04-01 US disclosed
EP-1633765-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2007-11-14 EP disclosed
US-20070213283-A1 Macrolides substituted at the 4\"-position GLAXO GROUP LIMITED (GB) 2007-09-13 US disclosed
US-20070141276-A1 Novel 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2007-06-21 US disclosed
US-20070037757-A1 Compounds GLAXO GROUP LIMITED (GB) 2007-02-15 US disclosed
EP-1558625-A2 4''-MODIFIED ERYTHROMYCIN DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-08-03 EP disclosed
WO-2004039822-A2 4’’ - MODIFIED ERYTHROMYCIN DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-05-13 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 (3 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-20070037757-A1 Compounds FPR1, TSLP, TLR5 KDM4E 3706/4885ALDH1A1 131/4885LMNA 3262/4885
US-20080221158-A1 Novel 14 and 15 Membered Ring Compounds IL17A, CYP51A1, IL15 KDM4E 3036/4885ALDH1A1 1819/4885LMNA 4115/4885
US-20070213283-A1 Macrolides substituted at the 4\"-position IL4, CYP51A1, IL17A KDM4E 1543/4885ALDH1A1 2288/4885LMNA 2144/4885

“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.