SCHEMBL1773552

SCHEMBL1773552

CC1(C)OB(c2ccc(S(=O)(=O)N3CCOCC3)c(C(F)(F)F)c2)OC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.53
KMT2A Q03164 5/20 0.47
MEN1 O00255 2/20 0.47
GSTO1 P78417 1/20 0.44
ALDH1A1 P00352 5/20 0.44
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CNR1 P21554 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL29222182 0.81 ALDH1A1 (0.54) CNR2KMT2AALDH1A1CNR1SMN1; SMN2
SCHEMBL16879294 0.79 CA1 (0.42)
SCHEMBL17102336 0.79 NOTUM (0.46) ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL29623415 0.79 NOTUM (0.46) ALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL17442100 0.78 CA1 (0.48) CNR2
SCHEMBL840799 0.77 CNR2 (0.57) CNR2KMT2AMEN1GSTO1ALDH1A1
SCHEMBL9886020 0.77 EPHX2 (0.42) KDM4EHTT
SCHEMBL12615115 0.77 POLB (0.59) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL30150274 0.76 KMT2A (0.79) CNR2KMT2AMEN1GSTO1ALDH1A1
SCHEMBL2800997 0.76 PDE3B (0.45) CNR2KMT2AMEN1ALDH1A1GAA

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-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof SANOFI-AVENTIS (FR) 2011-05-12 US disclosed
EP-2242747-A1 SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF Sanofi-Aventis (FR) 2010-10-27 EP disclosed
WO-2009097997-A1 SUBSTITUTED IMIDAZOLIDINE-2,4-DIONES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI-AVENTIS (FR) 2009-08-13 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-20110112097-A1 Substituted imidazoline-2,4-diones, process for preparation thereof, medicaments comprising these compounds and use thereof GIPR, PGC, DDC CNR2 1153/4885KMT2A 2322/4885MEN1 2512/4885

“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.