SCHEMBL6717706

SCHEMBL6717706

COC(=O)C(Cc1ccc(OCCNC(=O)OC(C)(C)C)c([N+](=O)[O-])c1)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.40
IDO1 P14902 1/20 0.40
POLB P06746 1/20 0.40
KCNH2 Q12809 1/20 0.40
KDM4E B2RXH2 4/20 0.39
BCL2 P10415 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PTPN1 P18031 4/20 0.38
PTPN22 Q9Y2R2 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6716355 0.93 ALDH1A1 (0.42) ALDH1A1HTTMAPTIDO1POLB
SCHEMBL6716377 0.86 IDO1 (0.42) ALDH1A1IDO1CA12CA1CA2
SCHEMBL6714907 0.86 PPARG (0.47) ALDH1A1HTTIDO1POLBKDM4E
SCHEMBL6717857 0.79 PPARG (0.43) ALDH1A1HTTMAPTIDO1POLB
SCHEMBL6722536 0.79 IDO1 (0.41) ALDH1A1MAPTIDO1KDM4ECA12
SCHEMBL7434383 0.76 ALDH1A1 (0.56) ALDH1A1HTTMAPTIDO1POLB
SCHEMBL6716011 0.74 CA12 (0.50) CA12CA1CA2CA9PTPN1
SCHEMBL6716406 0.74 CA1 (0.58) CA12CA1CA2CA9
SCHEMBL6716385 0.74 PPARG (0.49) ALDH1A1HTTMAPTPOLBNPC1
SCHEMBL3452611 0.73 MAPT (0.54) ALDH1A1MAPTPOLBCA12CA1

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-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 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 (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-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 ALDH1A1 3508/4885HTT 309/4885MAPT 4838/4885

“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.