SCHEMBL861319

SCHEMBL861319

CC(C)NC(=O)CCOCCOCCNC(=O)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
FAAH O00519 1/20 0.39
MAPK1 P28482 1/20 0.39
GLP1R P43220 8/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NLRP1 Q9C000 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL19901903 1.00 KMT2A (0.54) KMT2AMEN1FAAHMAPK1GLP1R
SCHEMBL25532300 0.98 KMT2A (0.51) KMT2AMEN1FAAHMAPK1GLP1R
SCHEMBL14728075 0.95 KMT2A (0.50) KMT2AMEN1FAAHMAPK1GLP1R
SCHEMBL25637029 0.88 KMT2A (0.51) KMT2AMEN1GLP1RALDH1A1HPGD
SCHEMBL20458026 0.85 MEN1 (0.47) KMT2AMEN1FAAHMAPK1ALDH1A1
SCHEMBL24500907 0.85 KMT2A (0.56) KMT2AMEN1GLP1RALDH1A1SMN1; SMN2
SCHEMBL18908674 0.84 KMT2A (0.73) KMT2AMEN1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL18908735 0.84 KMT2A (0.73) KMT2AMEN1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL10447931 0.84 KMT2A (0.73) KMT2AMEN1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL26249106 0.84 MEN1 (0.46) KMT2AMEN1FAAHMAPK1GLP1R

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 KMT2A 4505/4885MEN1 3725/4885FAAH 438/4885
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 KMT2A 4709/4885MEN1 4291/4885FAAH 324/4885

“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.