Sugi Predict

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SCHEMBL800932

SCHEMBL800932

COC(=O)c1coc(C(COCc2ccccc2)NC(=O)c2coc(C(NC(=O)OC(C)(C)C)C(C)C)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.44
▸ C3AR1 Q16581 2/20 0.43
▸ CTSS P25774 1/20 0.42
▸ PPARG P37231 2/20 0.41
▸ KLK7 P49862 2/20 0.39
▸ KLK5 Q9Y337 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NCOA2 Q15596 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ABCB1 P08183 2/20 0.38
▸ PTPN1 P18031 3/20 0.37
▸ CDC25B P30305 3/20 0.37
▸ PTPN2 P17706 2/20 0.37
▸ CDC25A P30304 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 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 0.90 PPARA (0.51) PPARAC3AR1CTSSPPARGKLK7
SCHEMBL805227 0.85 C3AR1 (0.46) C3AR1PPARGLMNATSHRNCOA2
SCHEMBL800930 0.84 C3AR1 (0.47) C3AR1PPARGLMNATSHRNCOA2
SCHEMBL800482 0.81 C3AR1 (0.46) C3AR1PPARGLMNATSHRNCOA2
SCHEMBL5014182 0.78 ALDH1A1 (0.56) C3AR1CTSSLMNATSHRMAPT
SCHEMBL7735821 0.77 MAPT (0.47) C3AR1CTSSLMNATSHRMAPT
SCHEMBL17867554 0.76 MAPT (0.54) PPARACTSSPPARGLMNATSHR
SCHEMBL800915 0.76 C3AR1 (0.46) C3AR1LMNATSHRMAPTATM
SCHEMBL800750 0.76 C3AR1 (0.46) C3AR1LMNATSHRMAPTATM
SCHEMBL10045815 0.75 MAPT (0.56) C3AR1KLK7KLK5MAPTMEN1

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-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

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 PPARA 2968/4885C3AR1 2510/4885CTSS 4044/4885
US-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 PPARA 2952/4885C3AR1 2841/4885CTSS 4015/4885
US-20110230531-A1 THERAPEUTIC COMPOUNDS MCL1, MKI67, NCL PPARA 1572/4885C3AR1 1661/4885CTSS 2744/4885

“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.