SCHEMBL6401219

SCHEMBL6401219

CC(C)NC(=S)NCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
PKM P14618 1/20 0.56
EPHX1 P07099 1/20 0.46
HPGD P15428 1/20 0.45
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FPR3 P25089 1/20 0.43
FPR2 P25090 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
KDM1A O60341 1/20 0.42
YAP1 P46937 1/20 0.42
TGFBR1 P36897 1/20 0.41

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
SCHEMBL4514614 0.86 KDM4E (0.59) KDM4EPKMEPHX1HPGDSMN1; SMN2
SCHEMBL19652088 0.82 KDM4E (0.60) KDM4EPKMEPHX1HPGDKMT2A
SCHEMBL4507253 0.82 KDM4E (0.60) KDM4EPKMEPHX1HPGDSMN1; SMN2
SCHEMBL13059914 0.81 KDM4E (0.56) KDM4EPKMEPHX1HPGDSMN1; SMN2
SCHEMBL24853346 0.80 KDM4E (0.64) KDM4EPKMEPHX1HPGDSMN1; SMN2
SCHEMBL6152939 0.80 KDM4E (0.68) KDM4EPKMEPHX1HPGDSMN1; SMN2
SCHEMBL1245476 0.80 KDM4E (0.64) KDM4EPKMEPHX1HPGDSMN1; SMN2
SCHEMBL6150181 0.80 KDM4E (0.58) KDM4EPKMEPHX1HPGDKMT2A
SCHEMBL5573225 0.79 KDM4E (0.63) KDM4EPKMEPHX1HPGDSMN1; SMN2
SCHEMBL6148507 0.79 KDM4E (0.60) KDM4EPKMEPHX1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity J. Uriach Y Compañia S.A. (ES) 2005-06-30 US 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-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity ITGB4, ITGA4, ITGA1 KDM4E 470/4885PKM 3864/4885EPHX1 804/4885

“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.