SCHEMBL1677010

SCHEMBL1677010

O=C(Cc1ccc(F)cc1)NOC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
TSHR P16473 2/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CNR1 P21554 2/20 0.52
MAPT P10636 1/20 0.52
XBP1 P17861 1/20 0.52
HTT P42858 1/20 0.52
GAA P10253 2/20 0.48
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL1676971 0.94 TP53 (0.52) TP53TSHRPKMKMT2AMEN1
SCHEMBL1676969 0.94 TP53 (0.52) TP53TSHRPKMKMT2AMEN1
SCHEMBL1677138 0.94 TP53 (0.52) TP53TSHRPKMKMT2AMEN1
SCHEMBL1677036 0.92 TP53 (0.54) TP53TSHRKMT2AMEN1CNR1
SCHEMBL1677158 0.91 KMT2A (0.63) TP53TSHRPKMKMT2AMEN1
SCHEMBL1677162 0.90 KMT2A (0.57) TP53TSHRPKMKMT2AMEN1
SCHEMBL1677084 0.88 TP53 (0.54) TP53PKMKMT2ACNR1MAPT
SCHEMBL1676993 0.87 TP53 (0.58) TP53TSHRKMT2AMEN1CNR1
SCHEMBL1676994 0.85 MAPT (0.61) TP53TSHRKMT2AMEN1CNR1
SCHEMBL1677172 0.83 TP53 (0.50) TP53KMT2AMEN1CNR1MAPT

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-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

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 4849/4885TSHR 4603/4885PKM 3198/4885

“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.