SCHEMBL1677064

SCHEMBL1677064

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
HTT P42858 2/20 0.58
PKM P14618 1/20 0.58
PKLR P30613 1/20 0.58
CNR1 P21554 1/20 0.57
GAA P10253 2/20 0.55
HPGD P15428 1/20 0.55
LMNA P02545 2/20 0.52
KDM4E B2RXH2 2/20 0.51
HSD11B1 P28845 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL1677094 0.93 TP53 (0.55) TP53MEN1KMT2AHTTPKM
SCHEMBL1677096 0.93 TP53 (0.55) TP53MEN1KMT2AHTTPKM
SCHEMBL7951897 0.87 KMT2A (0.61) TP53MEN1KMT2AHTTPKM
SCHEMBL12727839 0.85 HTT (0.62) TP53MEN1KMT2AHTTPKM
SCHEMBL1677163 0.84 KMT2A (0.58) TP53MEN1KMT2AHTTPKM
SCHEMBL18726870 0.83 ALDH1A1 (0.63) TP53MEN1KMT2AHTTPKM
SCHEMBL1676973 0.83 CNR1 (0.63) TP53HTTPKMPKLRCNR1
SCHEMBL14699675 0.82 KMT2A (0.56) TP53MEN1KMT2AHTTPKM
SCHEMBL7955499 0.82 KMT2A (0.56) TP53MEN1KMT2AHTTPKM
SCHEMBL1677048 0.82 CNR1 (0.57) TP53MEN1KMT2AHTTCNR1

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
EP-2346820-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF Shionogi & Co., Ltd. (JP) 2011-07-27 EP disclosed
US-20110098276-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2011-04-28 US disclosed
WO-2009151152-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-12-17 WO 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 4849/4885MEN1 4208/4885KMT2A 4121/4885

“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.