SCHEMBL6718003

SCHEMBL6718003

CCOC(=O)C(Cc1ccc(OCCNC(=O)c2ccc(-c3ccccc3)cc2)cc1)NCCC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.48
RAB9A P51151 7/20 0.48
POLB P06746 1/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
KLKB1 P03952 1/20 0.44
LTA4H P09960 1/20 0.43
HPGD P15428 1/20 0.43
PPARG P37231 2/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL6715945 0.95 MAPT (0.47) NPC1RAB9APOLBCASP3SENP7
SCHEMBL6716301 0.91 PPARG (0.42) NPC1RAB9APOLBCASP3SENP7
SCHEMBL6715949 0.88 NPC1 (0.46) NPC1RAB9APOLBCASP3SENP7
Hydrochloric Acid SCHEMBL6722311 0.87 NPC1 (0.51) NPC1RAB9APOLBCASP3SENP7
SCHEMBL6715755 0.87 MAPT (0.43) NPC1RAB9APOLBCASP3SENP7
Hydrochloric Acid SCHEMBL6713300 0.86 NPC1 (0.50) NPC1RAB9APOLBCASP3SENP7
SCHEMBL6716452 0.83 NPC1 (0.50) NPC1RAB9APOLBCASP3SENP7
SCHEMBL2652250 0.81 NPC1 (0.56) NPC1RAB9APOLBCASP3SENP7
SCHEMBL6715759 0.80 PPARG (0.42) NPC1RAB9APOLBCASP3SENP7
SCHEMBL6722571 0.80 PPARG (0.58) NPC1RAB9APOLBCASP3SENP7

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 NPC1 812/4885RAB9A 3140/4885POLB 4097/4885

“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.