SCHEMBL861031

SCHEMBL861031

CC(C)OC(=O)CCC(=O)NCc1ccc(NC(=O)C(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
TPSAB1 Q15661 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KLK7 P49862 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 2/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.40

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 0.90 MEN1 (0.53) MAPTMEN1KMT2ATPSAB1LMNA
SCHEMBL861454 0.89 ERCC1 (0.49) MAPTTPSAB1LMNAHTTRXFP1
SCHEMBL24980145 0.81 GAA (0.58) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL877658 0.78 ERCC1 (0.51) MEN1KMT2ATPSAB1LMNAHTT
SCHEMBL12560200 0.78 HPGD (0.63) MAPTMEN1KMT2ALMNAHTT
SCHEMBL861426 0.74 MEN1 (0.56) MAPTMEN1KMT2ATPSAB1HTT
SCHEMBL27305302 0.73 KMT2A (0.54) MAPTMEN1KMT2ALMNAHTT
SCHEMBL18804818 0.72 HPGD (0.56) MAPTMEN1KMT2AHTTNPSR1
SCHEMBL18814224 0.71 HPGD (0.67) MAPTMEN1KMT2AHTTNPSR1
SCHEMBL11742987 0.70 KMT2A (0.59) MAPTMEN1KMT2ALMNAHTT

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-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
US-7736624-B2 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy UNIV VANDERBILT (US) 2010-06-15 US disclosed
US-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy VANDERBILT UNIVERSITY (US) 2007-12-20 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-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 PTGS2, PTGES2, PTGER2 MAPT 2607/4885MEN1 3725/4885KMT2A 4505/4885
US-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy PTGES2, PTGS2, PTGER2 MAPT 2603/4885MEN1 4291/4885KMT2A 4709/4885

“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.