SCHEMBL3976868

SCHEMBL3976868

CCOC(=O)c1cn(CC)c2nc(NCCNC(=O)OC(C)(C)C)c(F)cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 2/20 0.43
KMT2A Q03164 3/20 0.42
LMNA P02545 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
MAPK1 P28482 3/20 0.41
CYP2C9 P11712 1/20 0.40
ATP6V1B2 P21281 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
SCHEMBL3982471 0.90 LMNA (0.49) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL31441631 0.78 ADORA3 (0.47) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL5425662 0.77 KDM4E (0.53) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL3974878 0.77 TSHR (0.41) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL5463685 0.76 LMNA (0.40) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL3977245 0.75 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL11283380 0.75 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL11286741 0.74 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL8733605 0.74 STAT3 (0.45) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL3978768 0.73 LMNA (0.41) ALDH1A1KDM4EHPGDHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569550-B2 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2009-08-04 US disclosed
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20070185117-A1 Novel 14 and 15 membrered ring compounds GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1628988-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-10-04 EP 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 ALDH1A1 2827/4885KDM4E 3840/4885HPGD 1267/4885
US-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 ALDH1A1 4011/4885KDM4E 3897/4885HPGD 2617/4885

“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.