SCHEMBL4930587

SCHEMBL4930587

CC(C)(C)OC(=O)NCCc1cc(Br)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.48
NQO2 P16083 1/20 0.48
FPR3 P25089 4/20 0.42
FPR2 P25090 4/20 0.42
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NAMPT P43490 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4923072 0.87 AAK1 (0.45) AAK1
SCHEMBL15261588 0.87 AAK1 (0.50) AAK1FPR3FPR2
SCHEMBL12521472 0.85 MAPK1 (0.48) AAK1
SCHEMBL8139434 0.84 AAK1 (0.46) AAK1ALDH1A1LMNAMAPTHSD17B10
SCHEMBL5754824 0.84 CNR2 (0.44) AAK1
SCHEMBL29888968 0.82 NQO2 (0.50) AAK1NQO2FPR3FPR2IDO1
SCHEMBL4929232 0.82 AAK1 (0.45) AAK1FPR2HTT
SCHEMBL28801452 0.81 NQO2 (0.47) AAK1NQO2FPR3FPR2IDO1
SCHEMBL14088041 0.81 AAK1 (0.41) AAK1HPGD
SCHEMBL2552330 0.81 AAK1 (0.50) AAK1NQO2FPR3FPR2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 US disclosed
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 US disclosed
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 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-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) MAOA, MAOB, COMT AAK1 2079/4885NQO2 264/4885FPR3 1376/4885

“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.