Sugi Predict

Sugi Predict / Compounds / SCHEMBL800520

SCHEMBL800520

SCHEMBL800520

COC(=O)c1coc(C(N)COCc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DAGLA Q9Y4D2 1/20 0.47
▸ SLC1A1 P43005 1/20 0.42
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ MMP2 P08253 2/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ TACR1 P25103 2/20 0.38
▸ XIAP P98170 1/20 0.38
▸ GHSR Q92847 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ CNR1 P21554 1/20 0.37

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
SCHEMBL801072 0.80 PPARA (0.51) DAGLAGHSRLMNAHPGDATM
SCHEMBL805224 0.80 DAGLA (0.38) DAGLAHDAC1HDAC8HDAC6LMNA
SCHEMBL10045808 0.78 TAAR1 (0.47) SLC1A1TAAR1MMP2MMP3TACR1
SCHEMBL12299227 0.78 DAGLA (0.39) DAGLASLC6A2SLC6A4SLC6A3HDAC1
SCHEMBL800514 0.78 DAGLA (0.39) DAGLASLC6A2SLC6A4SLC6A3HDAC1
SCHEMBL6463446 0.77 DAGLA (0.51) DAGLAHDAC1HDAC8HDAC6MMP2
SCHEMBL1868048 0.77 DAGLA (0.37) DAGLASLC6A2SLC6A4SLC6A3HDAC1
SCHEMBL6463454 0.75 HDAC1 (0.43) DAGLASLC6A2SLC6A4SLC6A3HDAC1
SCHEMBL15867717 0.74 TDP1 (0.46) DAGLASLC6A2SLC6A3LMNAHPGD
SCHEMBL800880 0.73 DAGLA (0.39) DAGLASLC6A2SLC6A4SLC6A3HDAC1

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 8 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-20110230531-A1 THERAPEUTIC COMPOUNDS NIH - DEITR 2011-09-22 — — US disclosed
US-20090156627-A1 THERAPEUTIC COMPOUNDS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-18 — — 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 (4 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 4762/4885SLC1A1 3212/4885SLC6A2 3236/4885
US-20090156627-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, RECQL DAGLA 4631/4885SLC1A1 4126/4885SLC6A2 3714/4885
US-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 DAGLA 4609/4885SLC1A1 4155/4885SLC6A2 3988/4885
US-20110230531-A1 THERAPEUTIC COMPOUNDS MCL1, MKI67, NCL DAGLA 4623/4885SLC1A1 2175/4885SLC6A2 3059/4885

“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.