SCHEMBL3499236

SCHEMBL3499236

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(-c2ccc([N+](=O)[O-])cc2)n(C(=O)O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 2/20 0.35
BCL2 P10415 1/20 0.35
BECN1 Q14457 1/20 0.35
PTGS1 P23219 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
CA9 Q16790 2/20 0.35
LTB4R Q15722 1/20 0.34
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PTGS2 P35354 1/20 0.33
NR1D1 P20393 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL3501150 0.91 ALDH1A1 (0.43) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL4553673 0.84 AAK1 (0.33) LTB4RPTGS2
SCHEMBL12134342 0.75 SYK (0.48) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL3501462 0.75 NR1H2 (0.36)
SCHEMBL22978349 0.74 NPC1 (0.35) ALDH1A1MAPTLMNARAB9ACA9
SCHEMBL3499314 0.74 MMP13 (0.37) PTGS1PTGS2
SCHEMBL29190579 0.74 ELANE (0.41) ALDH1A1MAPTLMNASMN1; SMN2RAB9A
SCHEMBL3514299 0.74 ELANE (0.46) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL3499073 0.73 POLB (0.33) MAPTMEN1KMT2A
SCHEMBL16052536 0.72 ADORA3 (0.37) ALDH1A1MAPTLMNAGAASMN1; SMN2

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-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2010-06-10 US disclosed
EP-2121619-A2 COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC Immune S.A. (CH) 2009-11-25 EP disclosed
WO-2008061796-A2 COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2008-05-29 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 (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-20100144793-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS APP, BACE1, APBA1 ALDH1A1 1974/4885MAPT 19/4885LMNA 591/4885

“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.