SCHEMBL5057161

SCHEMBL5057161

N[C@@H](CCCCNC(=O)NOCc1ccccc1)C(=O)Nc1nccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.54
HDAC6 Q9UBN7 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PKM P14618 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HSPA5 P11021 2/20 0.46
HSPA9 P38646 2/20 0.46
HSPA1A P0DMV8 1/20 0.46
HSPA2 P54652 1/20 0.46
LTA4H P09960 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ACP1 P24666 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL7382201 0.87 ANPEP (0.71) ANPEPHDAC6SMN1; SMN2L3MBTL1PKM
SCHEMBL7868066 0.84 ANPEP (0.66) ANPEPHDAC6SMN1; SMN2L3MBTL1PKM
SCHEMBL7874781 0.78 SMN1; SMN2 (0.59) ANPEPHDAC6SMN1; SMN2L3MBTL1HSPA5
SCHEMBL8076825 0.76 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1PKMHSPA5HSPA9
SCHEMBL5699500 0.76 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1PKMHSPA5HSPA9
SCHEMBL7879190 0.76 PKM (0.54) ANPEPHDAC6SMN1; SMN2L3MBTL1PKM
SCHEMBL29562130 0.75 ADAM17 (0.61) HDAC6HSPA5HSPA2CYP1A2CYP3A4
SCHEMBL7874820 0.73 NPC1 (0.53) SMN1; SMN2L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL7383594 0.72 ANPEP (0.65) ANPEPHDAC6
SCHEMBL7879208 0.71 EPHX2 (0.61) KDM4ETSHRALDH1A1

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
EP-1929014-B1 METHODS OF ALTERING AN IMMUNE RESPONSE INDUCED BY D-TYPE CPG OLIGODEOXYNUCLEOTIDES US GOV HEALTH & HUMAN SERV (US) 2014-08-13 EP disclosed
US-8470342-B2 Methods of altering an immune response induced by CpG oligodeoxynucleotides THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-06-25 US disclosed
US-20080249056-A1 Methods of Altering an Immune Response Induced by Cpg Oligodeoxynucleotides THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2008-10-09 US disclosed
EP-1929014-A1 METHODS OF ALTERING AN IMMUNE RESPONSE INDUCED BY CPG OLIGODEOXYNUCLEOTIDES The Government of the United States of America as represented by the Secretary of the Department of Health and Human Services (US) 2008-06-11 EP disclosed
WO-2007027718-A1 METHODS OF ALTERING AN IMMUNE RESPONSE INDUCED BY CPG OLIGODEOXYNUCLEOTIDES THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-03-08 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-20080249056-A1 Methods of Altering an Immune Response Induced by Cpg Oligodeoxynucleotides CXCL10, CCL2, CXCR6 ANPEP 872/4885HDAC6 1845/4885SMN1; SMN2 4603/4885

“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.