SCHEMBL805180

SCHEMBL805180

CCCCOCC(NC(=O)OC(C)(C)C)C(=O)NC(CO)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.44
CTSS P25774 4/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PLA2G2C Q5R387 1/20 0.39
HRH2 P25021 3/20 0.38
HRH1 P35367 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.36
CAPN1 P07384 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL15289799 0.89 CTSK (0.49) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL20170528 0.89 CTSK (0.49) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL16582451 0.84 CTSK (0.43) CTSKCTSSKMT2ACAPN1
SCHEMBL30196313 0.83 CTSK (0.47) CTSKCTSSMEN1KMT2AL3MBTL1
SCHEMBL15289834 0.82 CTSK (0.49) CTSKCTSSMEN1KMT2AL3MBTL1
SCHEMBL16118901 0.82 ITGB3 (0.48) CTSKCTSSPPARA
SCHEMBL23822627 0.81 CTSK (0.48) CTSKCTSSMEN1KMT2AL3MBTL1
SCHEMBL15289784 0.81 CTSK (0.48) CTSKCTSSMEN1KMT2AL3MBTL1
SCHEMBL14964458 0.81 CTSK (0.48) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL25527211 0.81 CTSK (0.48) CTSKCTSSMEN1KMT2AL3MBTL1

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 CTSK 4281/4885CTSS 4044/4885MEN1 1756/4885
US-20120071527-A1 THERAPEUTIC COMPOUNDS TOP2B, DDB1, TOP1 CTSK 4275/4885CTSS 4015/4885MEN1 1717/4885
US-20110230531-A1 THERAPEUTIC COMPOUNDS MCL1, MKI67, NCL CTSK 2778/4885CTSS 2744/4885MEN1 422/4885

“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.