SCHEMBL4178080

SCHEMBL4178080

CCOC(=O)c1c[nH]c2ccc(CCCNC(=O)OC(C)(C)C)cc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.64
GABRB2 P47870 4/20 0.64
GABRB1 P18505 3/20 0.57
GABRA3 P34903 3/20 0.57
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL18589522 0.81 GABRA1 (0.76) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL4169502 0.80 LMNA (0.42) GABRA1GABRB2MEN1ALDH1A1HPGD
SCHEMBL22843745 0.80 GABRA1 (0.83) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL3982430 0.80 LMNA (0.56) MEN1ALDH1A1TP53HPGDKMT2A
SCHEMBL4164845 0.79 GABRA1 (0.55) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL7291769 0.79 GABRA1 (1.00) GABRA1GABRB2GABRB1GABRA3MEN1
SCHEMBL4169399 0.79 LMNA (0.41) GABRA1GABRB2GABRB1GABRA3KMT2A
SCHEMBL5255090 0.78 LMNA (0.46) MEN1ALDH1A1HPGDKMT2AHSD17B10
SCHEMBL4176943 0.78 KMT2A (0.44) GABRA1GABRB2MEN1ALDH1A1HPGD
SCHEMBL4173128 0.77 LMNA (0.48) MEN1ALDH1A1HPGDKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
EP-1628989-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-12-20 EP disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 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-20070293472-A1 Novel 14 and 15 Membered Ring Compounds IL17A, CYP51A1, IL15 GABRA1 3222/4885GABRB2 3095/4885GABRB1 2870/4885
US-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 GABRA1 3341/4885GABRB2 4256/4885GABRB1 3850/4885

“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.