SCHEMBL9100464

SCHEMBL9100464

CC(C)(C)OC(=O)N(CCC(=O)O)Cc1ccc(C(N)=NO)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.47
HDAC2 Q92769 7/20 0.47
HDAC3 O15379 2/20 0.47
NCOR2 Q9Y618 2/20 0.47
BMP1 P13497 1/20 0.38
HDAC6 Q9UBN7 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
F10 P00742 1/20 0.35
F2 P00734 1/20 0.35
SSTR4 P31391 1/20 0.34
PTGES O14684 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9100541 1.00 HDAC1 (0.47) HDAC1HDAC2HDAC3NCOR2BMP1
SCHEMBL10170384 0.83 HDAC1 (0.44) HDAC1HDAC2HDAC3NCOR2BMP1
SCHEMBL409375 0.83 HDAC1 (0.44) HDAC1HDAC2HDAC3NCOR2BMP1
SCHEMBL409376 0.83 HDAC1 (0.44) HDAC1HDAC2HDAC3NCOR2BMP1
SCHEMBL29573114 0.81 GRM2 (0.42) HDAC1HDAC2HDAC3NCOR2BMP1
SCHEMBL6791575 0.81 GRM2 (0.42) HDAC1HDAC2HDAC3NCOR2BMP1
SCHEMBL4147838 0.81 HDAC1 (0.56) HDAC1HDAC2HDAC3NCOR2HDAC6
SCHEMBL10206928 0.80 HDAC1 (0.40) HDAC1HDAC2HDAC3NCOR2CTSL
SCHEMBL2205836 0.80 HDAC3 (0.47) HDAC1HDAC2HDAC3NCOR2CTSL
SCHEMBL408595 0.78 HDAC1 (0.41) HDAC1HDAC2HDAC3NCOR2BMP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646022-B1 NOVEL PHENYL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-10-15 EP disclosed
EP-2646022-A1 NOVEL PHENYL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS Allergan, Inc. (US) 2013-10-09 EP disclosed
US-8486918-B2 Phenyl oxadiazole derivatives as sphingosine 1-phosphate (S1P) receptor ALLERGAN, INC. (US) 2013-07-16 US disclosed
WO-2012074732-A1 NOVEL PHENYL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 WO disclosed
US-20120142745-A1 NOVEL PHENYL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US disclosed
US-8192948-B1 Chemifluorescent substrate for peroxide and peroxidase detection PIERCE BIOTECHNOLOGY, INC. (US) 2012-06-05 US disclosed
EP-0361470-B1 Method for the chemiluminescence assay of the activity of peroxidase FUJIREBIO KK (JP) 1993-12-22 EP disclosed
US-5171668-A Measuring light emitted from contacting (iso)luminol, peroxide, peroxidase activity enhancer, such as indoanilines, phenolindophenol and N-methylphenothiazine, with labeled peroxidase antibody-antigen complex FUJIREBIO INC. (JP) 1992-12-15 US disclosed
EP-0361470-A2 Method for the chemiluminescence assay of the activity of peroxidase FUJIREBIO INC. (JP) 1990-04-04 EP 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-20120142745-A1 NOVEL PHENYL OXADIAZOLE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR3, S1PR1, S1PR2 HDAC1 1320/4885HDAC2 1084/4885HDAC3 830/4885

“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.