SCHEMBL860790

SCHEMBL860790

COC(=O)CCC(=O)NCCCCNC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
MAPK1 P28482 1/20 0.56
HIF1A Q16665 1/20 0.56
TSHR P16473 4/20 0.50
ADRA1A P35348 1/20 0.50
PAOX Q6QHF9 3/20 0.47
RECQL P46063 1/20 0.47
CASP2 P42575 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NAAA Q02083 1/20 0.43
LMNA P02545 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL14073945 0.89 KDM4E (0.57) KDM4EMAPK1HIF1ATSHRADRA1A
SCHEMBL21695696 0.88 HIF1A (0.71) KDM4EMAPK1HIF1ATSHRADRA1A
SCHEMBL14507335 0.86 KDM4E (0.62) KDM4EMAPK1HIF1ATSHRADRA1A
SCHEMBL22134543 0.85 NAAA (0.52) TSHRRECQLCASP2MEN1KMT2A
SCHEMBL29324242 0.85 TSHR (0.50) TSHRRECQLCASP2MEN1KMT2A
SCHEMBL130413 0.84 KDM4E (0.67) KDM4EMAPK1HIF1ATSHRADRA1A
SCHEMBL13599549 0.84 TSHR (0.45) KDM4EMAPK1HIF1ATSHRRECQL
SCHEMBL407248 0.84 TSHR (0.61) KDM4EMAPK1HIF1ATSHRADRA1A
SCHEMBL4093621 0.83 CASP2 (0.69) CASP2NAAAEPHX2
SCHEMBL13129293 0.83 CASP2 (0.69) CASP2NAAAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865130-B2 Methods and compositions for diagnostic and therapeutic targeting of COX-2 VANDERBILT UNIVERSITY (US) 2014-10-21 US disclosed
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 KDM4E 4585/4885MAPK1 4533/4885HIF1A 899/4885
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 KDM4E 4440/4885MAPK1 3292/4885HIF1A 1514/4885

“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.