Sugi Predict

Sugi Predict / Compounds / SCHEMBL805240

SCHEMBL805240

SCHEMBL805240

COC(=O)c1coc(-c2coc(-c3coc(C(NC(=O)c4coc(-c5coc(-c6coc(C(NC(=O)OC(C)(C)C)C(C)C)n6)n5)n4)C(C)C)n3)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 2/20 0.43
▸ ABCB1 P08183 5/20 0.43
▸ LMNA P02545 4/20 0.37
▸ TSHR P16473 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HSD17B10 Q99714 3/20 0.35
▸ PPARG P37231 1/20 0.34
▸ NCOA2 Q15596 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ MITF O75030 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC8 Q9BY41 2/20 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
SCHEMBL800521 0.96 C3AR1 (0.40) C3AR1ABCB1LMNATSHRALDH1A1
SCHEMBL800483 0.87 C3AR1 (0.42) C3AR1ABCB1LMNATSHRALDH1A1
SCHEMBL800522 0.87 HDAC1 (0.37) C3AR1HDAC1HDAC8HDAC6
SCHEMBL800482 0.85 C3AR1 (0.46) C3AR1ABCB1LMNATSHRALDH1A1
SCHEMBL805171 0.85 C3AR1 (0.40) C3AR1ABCB1ALDH1A1KMT2AMEN1
SCHEMBL800942 0.85 HDAC1 (0.33) C3AR1HDAC1HDAC8HDAC6
SCHEMBL800930 0.82 C3AR1 (0.47) C3AR1ABCB1LMNATSHRALDH1A1
SCHEMBL12299198 0.80 LMNA (0.41) C3AR1ABCB1LMNATSHRALDH1A1
SCHEMBL12299192 0.80 LMNA (0.40) C3AR1ABCB1LMNATSHRALDH1A1
SCHEMBL12299195 0.79 LMNA (0.40) C3AR1ABCB1LMNATSHRALDH1A1

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-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-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
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 (2 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 2510/4885ABCB1 260/4885LMNA 427/4885
US-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 C3AR1 2841/4885ABCB1 249/4885LMNA 442/4885

“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.