SCHEMBL805224

SCHEMBL805224

CCCCOCC(N)c1nc(C(=O)OC)co1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 1/20 0.38
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
NPC1 O15118 1/20 0.34
CASP1 P29466 1/20 0.34
RAB9A P51151 1/20 0.34
ERAP2 Q6P179 2/20 0.34
LNPEP Q9UIQ6 2/20 0.34
CASR P41180 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 3/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ALPL P05186 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
SCHEMBL13954062 0.90 DAGLA (0.34) DAGLAALOX5APFEN1NPC1CASP1
SCHEMBL800514 0.82 DAGLA (0.39) DAGLAALOX5APFEN1HPGDHDAC1
SCHEMBL800520 0.80 DAGLA (0.47) DAGLAHPGDLMNACNR1HDAC1
SCHEMBL12299227 0.79 DAGLA (0.39) DAGLAALOX5APFEN1KDM4EALDH1A1
SCHEMBL10058186 0.78 KDM4E (0.33) ALOX5APFEN1NPC1RAB9ASMN1; SMN2
SCHEMBL805226 0.78 C3AR1 (0.43) RAB9AMEN1ALDH1A1HPGDKMT2A
SCHEMBL1868048 0.78 DAGLA (0.37) DAGLAALOX5APFEN1HDAC1HDAC8
SCHEMBL10074433 0.77 CYP1A2 (0.39) NPC1CASP1RAB9AERAP2LNPEP
SCHEMBL12329081 0.76 GAA (0.32) DAGLASMN1; SMN2KDM4EPLA2G2AGAA
SCHEMBL800880 0.74 DAGLA (0.39) DAGLAALOX5APFEN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993607-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-03-31 US disclosed
US-8729060-B2 Macrocyclic polyoxazole compounds and use thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-05-20 US disclosed
US-8518928-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2013-08-27 US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 US disclosed
US-20120046234-A1 THERAPEUTIC COMPOUNDS NIH - DEITR 2012-02-23 US disclosed
US-8093235-B2 Macrocyclic compounds which stabilize G-Quadruplex DNA and RNA RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-01-10 US disclosed
US-20090156627-A1 THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-18 US disclosed
WO-2009018549-A1 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-02-05 WO disclosed
WO-2009018551-A2 THERAPEUTIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2009-02-05 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 (3 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-20120046234-A1 THERAPEUTIC COMPOUNDS MKI67, MCL1, TP53 DAGLA 4762/4885ALOX5AP 3999/4885FEN1 2057/4885
US-20090156627-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, RECQL DAGLA 4631/4885ALOX5AP 4830/4885FEN1 190/4885
US-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 DAGLA 4609/4885ALOX5AP 4855/4885FEN1 183/4885

“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.