SCHEMBL3978702

SCHEMBL3978702

CCOC(=O)c1cn2c3c(cc(C#CCNC(=O)OC(C)(C)C)cc3c1=O)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.41
CRBN Q96SW2 2/20 0.41
PTPN11 Q06124 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
STAT3 P40763 1/20 0.35
KDM4E B2RXH2 4/20 0.34
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
MAPT P10636 2/20 0.34
CSF1R P07333 1/20 0.34
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL5442448 0.95 DDB1 (0.42) DDB1CRBNPTPN11MEN1KMT2A
SCHEMBL4883376 0.88 DDB1 (0.37) DDB1CRBNPTPN11KMT2ASTAT3
SCHEMBL4180098 0.86 DDB1 (0.37) DDB1CRBNPTPN11MEN1KMT2A
SCHEMBL4139977 0.85 DDB1 (0.36) DDB1CRBNMEN1KMT2ASTAT3
SCHEMBL13799063 0.84 ALDH1A1 (0.36) MEN1KMT2AMAPK1STAT3KDM4E
SCHEMBL4183925 0.83 DDB1 (0.37) DDB1CRBNPTPN11MEN1KMT2A
SCHEMBL3981476 0.82 MTNR1A (0.42) MEN1KMT2AMAPK1KDM4EMTNR1A
SCHEMBL3810463 0.82 MEN1 (0.34) MEN1KMT2AMAPK1STAT3KDM4E
SCHEMBL4183629 0.82 DDB1 (0.38) DDB1CRBNPTPN11STAT3KDM4E
SCHEMBL13799062 0.80 KDM4E (0.37) MEN1KMT2AMAPK1STAT3KDM4E

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-20070293472-A1 Novel 14 and 15 Membered Ring Compounds GLAXO GROUP LIMITED (GB) 2007-12-20 US disclosed
US-20070185117-A1 Novel 14 and 15 membrered ring compounds GLAXO GROUP LIMITED (GB) 2007-08-09 US 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-20070185117-A1 Novel 14 and 15 membrered ring compounds CYP51A1, LSS, IL17A DDB1 3595/4885CRBN 3646/4885PTPN11 3510/4885
US-20070293472-A1 Novel 14 and 15 Membered Ring Compounds IL17A, CYP51A1, IL15 DDB1 3868/4885CRBN 3155/4885PTPN11 1610/4885
US-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 DDB1 3765/4885CRBN 3533/4885PTPN11 2201/4885

“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.