SCHEMBL877658

SCHEMBL877658

COC(=O)CCC(=O)NCc1ccc(CNC(=O)C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.51
ERCC4 Q92889 1/20 0.51
TPSAB1 Q15661 3/20 0.50
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 2/20 0.44
RXFP1 Q9HBX9 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 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
SCHEMBL14731447 0.89 MEN1 (0.53) TPSAB1ALDH1A1HTTMEN1KMT2A
SCHEMBL861454 0.88 ERCC1 (0.49) ERCC1ERCC4TPSAB1ALDH1A1L3MBTL1
SCHEMBL860798 0.83 TPSAB1 (0.54) TPSAB1ALDH1A1HTTMEN1KMT2A
SCHEMBL12131750 0.82 ERCC1 (0.70) ERCC1ERCC4TPSAB1MEN1KMT2A
SCHEMBL16205822 0.81 TPSAB1 (0.57) TPSAB1ALDH1A1L3MBTL1HTTMEN1
SCHEMBL16273562 0.80 HTT (0.59) TPSAB1ALDH1A1HTTMEN1KMT2A
SCHEMBL15682817 0.80 ALDH1A1 (0.69) TPSAB1ALDH1A1HTTMEN1KMT2A
SCHEMBL861031 0.78 MAPT (0.56) TPSAB1ALDH1A1L3MBTL1HTTMEN1
SCHEMBL861426 0.78 MEN1 (0.56) TPSAB1ALDH1A1L3MBTL1HTTMEN1
SCHEMBL12757447 0.78 ALDH1A1 (0.62) ERCC1ERCC4ALDH1A1L3MBTL1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143302-B2 Methods and compositions for diagnostic and therapeutic targeting of COX-2 VANDERBILT UNIVERSITY (US) 2012-03-27 US disclosed
US-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2010-10-07 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 (1 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-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 PTGS2, PTGES2, PTGER2 ERCC1 3289/4885ERCC4 2832/4885TPSAB1 1008/4885

“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.