SCHEMBL800930

SCHEMBL800930

COC(=O)c1coc(C(CO)NC(=O)c2coc(C(NC(=O)OC(C)(C)C)C(C)C)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 2/20 0.47
ABCB1 P08183 5/20 0.43
LMNA P02545 5/20 0.39
TSHR P16473 4/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 2/20 0.35
MITF O75030 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CTSK P43235 1/20 0.33
CYP2D6 P10635 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
SCHEMBL800482 0.89 C3AR1 (0.46) C3AR1ABCB1LMNATSHRPPARG
SCHEMBL800967 0.88 C3AR1 (0.47) C3AR1ABCB1LMNATSHRHSD17B10
SCHEMBL10045822 0.88 C3AR1 (0.46) C3AR1ABCB1LMNATSHRHSD17B10
SCHEMBL805227 0.86 C3AR1 (0.46) C3AR1ABCB1LMNATSHRPPARG
SCHEMBL800932 0.84 PPARA (0.44) C3AR1ABCB1LMNATSHRPPARG
SCHEMBL10045781 0.84 C3AR1 (0.44) C3AR1ABCB1LMNATSHRHSD17B10
SCHEMBL805240 0.82 C3AR1 (0.43) C3AR1ABCB1LMNATSHRPPARG
SCHEMBL800915 0.81 C3AR1 (0.46) C3AR1ABCB1LMNATSHRHSD17B10
SCHEMBL800750 0.81 C3AR1 (0.46) C3AR1ABCB1LMNATSHRHSD17B10
SCHEMBL22636243 0.80 C3AR1 (0.59) C3AR1ABCB1LMNATSHRHSD17B10

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 10 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-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-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-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 2510/4885ABCB1 260/4885LMNA 427/4885
US-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 C3AR1 2841/4885ABCB1 249/4885LMNA 442/4885
US-20110230531-A1 THERAPEUTIC COMPOUNDS MCL1, MKI67, NCL C3AR1 1661/4885ABCB1 22/4885LMNA 243/4885

“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.