SCHEMBL801072

SCHEMBL801072

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.51
CTSS P25774 1/20 0.48
PPARG P37231 1/20 0.47
MAPT P10636 3/20 0.46
KLK7 P49862 2/20 0.44
KLK5 Q9Y337 2/20 0.44
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 3/20 0.43
PKM P14618 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
TP53 P04637 1/20 0.43
AGTR1 P30556 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL800932 0.90 PPARA (0.44) PPARACTSSPPARGMAPTKLK7
SCHEMBL5014182 0.88 ALDH1A1 (0.56) CTSSMAPTALDH1A1NPSR1LMNA
SCHEMBL7735821 0.86 MAPT (0.47) CTSSMAPTALDH1A1NPSR1LMNA
SCHEMBL805226 0.82 C3AR1 (0.43) MAPTALDH1A1NPSR1LMNATSHR
SCHEMBL7723171 0.82 MAPT (0.56) PPARACTSSMAPTKLK7KLK5
SCHEMBL12980639 0.81 C3AR1 (0.46) MAPTALDH1A1NPSR1LMNATSHR
SCHEMBL10045822 0.81 C3AR1 (0.46) MAPTALDH1A1NPSR1LMNATSHR
SCHEMBL10045813 0.80 MAPT (0.67) MAPTKLK7KLK5NPSR1MEN1
SCHEMBL800520 0.80 DAGLA (0.47) LMNAHPGDATMDAGLAGHSR
SCHEMBL10045823 0.80 C3AR1 (0.49) MAPTALDH1A1NPSR1LMNATSHR

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 4 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-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 PPARA 2968/4885CTSS 4044/4885PPARG 2233/4885
US-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 PPARA 2952/4885CTSS 4015/4885PPARG 2188/4885

“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.