SCHEMBL878351

SCHEMBL878351

CNC(=O)CCC(=O)OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
LMNA P02545 3/20 0.48
TSHR P16473 4/20 0.42
HTT P42858 1/20 0.37
POLB P06746 1/20 0.36
NOTUM Q6P988 1/20 0.36
EPHX2 P34913 1/20 0.35
USP2 O75604 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 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
SCHEMBL13635623 0.86 LMNA (0.63) MAPTLMNATSHREPHX2
SCHEMBL72471 0.83 LMNA (0.62) MAPTLMNATSHRHTTNOTUM
SCHEMBL6955795 0.82 LMNA (0.42) MAPTLMNATSHRHTTCA12
SCHEMBL22477315 0.82 LMNA (0.38) MAPTLMNATSHRPOLBUSP2
SCHEMBL19821862 0.82 CA12 (0.48) MAPTLMNATSHRHTTPOLB
SCHEMBL31402602 0.81 LMNA (0.60) MAPTLMNATSHRHTTNOTUM
SCHEMBL861457 0.81 MAPT (0.50) MAPTLMNATSHRHTT
SCHEMBL1979159 0.79 TSHR (0.65) MAPTLMNATSHRHTTCA12
SCHEMBL14562632 0.78 LMNA (0.38) MAPTLMNATSHRPOLBCA12
SCHEMBL25979498 0.78 MAPT (0.47) MAPTLMNATSHRHTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130052138-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2013-02-28 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

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 2607/4885LMNA 2338/4885TSHR 3870/4885
US-20130052138-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 PTGS2, PTGES2, PTGER2 MAPT 2607/4885LMNA 2338/4885TSHR 3870/4885

“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.