SCHEMBL3033009

SCHEMBL3033009

CCOC(=O)c1cc2ccc(NC(=O)CCOC(C)(C)C)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.41
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 6/20 0.38
NOD2 Q9HC29 1/20 0.38
NOD1 Q9Y239 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL3641231 0.90 KMT2A (0.41) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL3028971 0.88 NR1H2 (0.46) NR1H2
SCHEMBL3641237 0.87 ACSS2 (0.38) NR1H2POLBMEN1KMT2AALDH1A1
SCHEMBL3037861 0.80 HPGD (0.47) NR1H2ALDH1A1NOD2NOD1HPGD
SCHEMBL5623839 0.79 NOD2 (0.52) NR1H2MEN1KMT2AALDH1A1MAPT
SCHEMBL13560524 0.79 ECE1 (0.38) NR1H2
SCHEMBL13173591 0.78 NOD2 (0.46) NR1H2MEN1KMT2AALDH1A1NOD2
SCHEMBL3036607 0.78 MMP13 (0.47) MEN1KMT2AMAPTNOD2NOD1
SCHEMBL31095788 0.77 NOD2 (0.45) NR1H2MEN1KMT2AALDH1A1NOD2
SCHEMBL3025182 0.77 NOD2 (0.45) NR1H2MEN1KMT2ANOD2NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 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 (1 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 NR1H2 1873/4885POLB 23/4885MEN1 3585/4885

“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.