Sugi Predict

Sugi Predict / Compounds / SCHEMBL800514

SCHEMBL800514

SCHEMBL800514

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DAGLA Q9Y4D2 1/20 0.39
▸ FBP1 P09467 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ CACNA1G O43497 4/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ C3AR1 Q16581 1/20 0.32
▸ CCR3 P51677 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ PTGER4 P35408 1/20 0.32

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
SCHEMBL12452858 0.88 DAGLA (0.34) DAGLAFBP1HDAC1HDAC8HDAC6
SCHEMBL12299227 0.88 DAGLA (0.39) DAGLAFBP1HDAC1HDAC8HDAC6
SCHEMBL800812 0.83 DAGLA (0.40) DAGLAFBP1HDAC1HDAC8HDAC6
SCHEMBL15214456 0.83 DAGLA (0.39) DAGLAFBP1HDAC1HDAC8HDAC6
SCHEMBL13175023 0.83 DAGLA (0.39) DAGLAFBP1HDAC1HDAC8HDAC6
SCHEMBL800880 0.83 DAGLA (0.39) DAGLAFBP1HDAC1HDAC8HDAC6
SCHEMBL3465662 0.83 ALDH1A1 (0.41) HDAC1HDAC8HDAC6C3AR1
SCHEMBL3465422 0.82 HDAC1 (0.40) HDAC1HDAC8HDAC6C3AR1
SCHEMBL805224 0.82 DAGLA (0.38) DAGLAHDAC1HDAC8HDAC6ALOX5AP
SCHEMBL1868048 0.81 DAGLA (0.37) DAGLAFBP1HDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796300-B2 Therapeutic compounds RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-08-05 — — 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-20120238595-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-09-20 — — US disclosed
US-20120071527-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-22 — — US disclosed
US-20110230531-A1 THERAPEUTIC COMPOUNDS NIH - DEITR 2011-09-22 — — 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 (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-20120238595-A1 THERAPEUTIC COMPOUNDS CCNY, MKI67, MCL1 DAGLA 4607/4885FBP1 4311/4885HDAC1 201/4885
US-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 DAGLA 4609/4885FBP1 2130/4885HDAC1 474/4885
US-20110230531-A1 THERAPEUTIC COMPOUNDS MCL1, MKI67, NCL DAGLA 4623/4885FBP1 3010/4885HDAC1 114/4885

“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.