SCHEMBL1677121

SCHEMBL1677121

O=C(NCc1ccc(F)cc1)NO[C@H]1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.48
XBP1 P17861 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 3/20 0.46
CNR1 P21554 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SLC13A5 Q86YT5 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 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
SCHEMBL1677122 1.00 TP53 (0.50) TP53MAPTXBP1HTTKMT2A
SCHEMBL1677172 1.00 TP53 (0.50) TP53MAPTXBP1HTTKMT2A
SCHEMBL1677084 0.95 TP53 (0.54) TP53MAPTXBP1HTTKMT2A
SCHEMBL1677138 0.89 TP53 (0.52) TP53MAPTXBP1HTTKMT2A
SCHEMBL1676969 0.89 TP53 (0.52) TP53MAPTXBP1HTTKMT2A
SCHEMBL1676971 0.89 TP53 (0.52) TP53MAPTXBP1HTTKMT2A
SCHEMBL1677215 0.87 MAPT (0.57) TP53MAPTXBP1HTTKMT2A
SCHEMBL12735660 0.87 MAPT (0.57) TP53MAPTXBP1HTTKMT2A
SCHEMBL1677214 0.87 MAPT (0.57) TP53MAPTXBP1HTTKMT2A
SCHEMBL1677074 0.87 KMT2A (0.49) TP53KMT2ACNR1L3MBTL1MEN1

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-8518934-B2 Oxycarbamoyl compounds and the use thereof SHONOGI & CO., LTD. (JP) 2013-08-27 US disclosed
EP-2346820-B1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO (JP) 2013-02-13 EP disclosed
US-20110098276-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2011-04-28 US disclosed
US-20110098276-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2011-04-28 US disclosed
US-20110098276-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2011-04-28 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-20110098276-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF CACNA1B, ORAI1, CACNA1I TP53 4849/4885MAPT 1884/4885XBP1 893/4885

“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.