Sugi Predict

Sugi Predict / Compounds / SCHEMBL805226

SCHEMBL805226

SCHEMBL805226

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ LMNA P02545 2/20 0.36
▸ CTSK P43235 7/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ HTT P42858 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ AGTR1 P30556 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL805227 0.89 C3AR1 (0.46) C3AR1ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL22648524 0.85 C3AR1 (0.47) C3AR1ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL12980639 0.85 C3AR1 (0.46) C3AR1ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL10045822 0.82 C3AR1 (0.46) C3AR1ALDH1A1TSHRLMNACTSK
SCHEMBL801072 0.82 PPARA (0.51) C3AR1ALDH1A1TSHRLMNAKMT2A
SCHEMBL10045823 0.81 C3AR1 (0.49) C3AR1ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL3511397 0.79 KMT2A (0.48) C3AR1ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL800494 0.79 KMT2A (0.48) C3AR1ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL805224 0.78 DAGLA (0.38) ALDH1A1L3MBTL1TSHRLMNAKMT2A
SCHEMBL800967 0.78 C3AR1 (0.47) C3AR1ALDH1A1L3MBTL1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2009018549-A1 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-20090156627-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, RECQL C3AR1 2510/4885ALDH1A1 2075/4885L3MBTL1 414/4885
US-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 C3AR1 2841/4885ALDH1A1 2041/4885L3MBTL1 458/4885
US-20110230531-A1 THERAPEUTIC COMPOUNDS MCL1, MKI67, NCL C3AR1 1661/4885ALDH1A1 499/4885L3MBTL1 658/4885

“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.