SCHEMBL1676972

SCHEMBL1676972

O=C(NCCOc1ccc(F)cc1)NOC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.49
XBP1 P17861 1/20 0.49
HTT P42858 1/20 0.49
CNR1 P21554 1/20 0.47
KMT2A Q03164 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.43
LMNA P02545 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
SCHEMBL1677084 0.86 TP53 (0.54) TP53MAPTXBP1HTTCNR1
SCHEMBL1677112 0.85 CNR1 (0.52) TP53CNR1KMT2AL3MBTL1MEN1
SCHEMBL1677067 0.85 CNR1 (0.52) TP53HTTCNR1KMT2AL3MBTL1
SCHEMBL1677196 0.84 PKM (0.53) TP53CNR1KMT2AL3MBTL1MEN1
SCHEMBL1676994 0.83 MAPT (0.61) TP53MAPTXBP1HTTCNR1
SCHEMBL1676951 0.83 CNR1 (0.53) TP53HTTCNR1KMT2AL3MBTL1
SCHEMBL1676988 0.83 CNR1 (0.53) TP53HTTCNR1KMT2AL3MBTL1
SCHEMBL1677238 0.82 CNR1 (0.52) TP53HTTCNR1KMT2AL3MBTL1
SCHEMBL1677010 0.82 TP53 (0.56) TP53MAPTXBP1HTTCNR1
SCHEMBL1677172 0.81 TP53 (0.50) TP53MAPTXBP1HTTCNR1

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-8518934-B2 Oxycarbamoyl compounds and the use thereof SHONOGI & CO., LTD. (JP) 2013-08-27 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.