SCHEMBL17830467

SCHEMBL17830467

CC(=O)Nc1ccc(/C=C/c2ccc(NC(=S)NC(C)C)cc2S(=O)(=O)ON)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
ENPP2 Q13822 1/20 0.47
APEX1 P27695 1/20 0.44
RAD51 Q06609 2/20 0.42
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
PKM P14618 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.36
PPARG P37231 1/20 0.35

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
SCHEMBL17830461 0.90 KDM4E (0.41) RAB9AENPP2APEX1RAD51KDM4E
SCHEMBL19713085 0.88 ENPP2 (0.62) RAB9AENPP2APEX1RAD51KDM4E
SCHEMBL19713084 0.88 ENPP2 (0.62) RAB9AENPP2APEX1RAD51KDM4E
SCHEMBL19713051 0.85 ENPP2 (0.51) RAB9AENPP2APEX1RAD51KDM4E
SCHEMBL17830245 0.85 ENPP2 (0.51) RAB9AENPP2APEX1RAD51KDM4E
SCHEMBL19713072 0.83 ENPP2 (0.54) RAB9AENPP2APEX1RAD51KDM4E
SCHEMBL17830431 0.83 ENPP2 (0.54) RAB9AENPP2APEX1RAD51KDM4E
SCHEMBL14358601 0.82 ENPP2 (0.69) RAB9AENPP2APEX1RAD51KDM4E
SCHEMBL14358597 0.82 ENPP2 (0.69) RAB9AENPP2APEX1RAD51KDM4E
SCHEMBL22607608 0.80 RAB9A (0.67) RAB9AKDM4EMAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362172-A1 COMPOSITIONS AND METHODS RELATING TO THE TREATMENT OF CANCER, AUTOIMMUNE DISEASE, AND NEURODEGENERATIVE DISEASE THE JACKSON LABORATORY (US) 2017-12-21 US disclosed
WO-2016094897-A1 COMPOSITIONS AND METHODS RELATING TO THE TREATMENT OF CANCER, AUTOIMMUNE DISEASE, AND NEURODEGENERATIVE DISEASE THE JACKSON LABORATORY (US) 2016-06-16 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-20170362172-A1 COMPOSITIONS AND METHODS RELATING TO THE TREATMENT OF CANCER, AUTOIMMUNE DISEASE, AND NEURODEGENERATIVE DISEASE OGG1, MGMT, TDP1 RAB9A 2826/4885ENPP2 225/4885APEX1 38/4885

“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.