SCHEMBL4396764

SCHEMBL4396764

CC(=O)Nc1cccc2c(S(=O)(=O)NC[C@H]3CC[C@H](CNC(=O)O)CC3)cccc12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.55
NSD2 O96028 5/20 0.53
EDNRA P25101 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
USP30 Q70CQ3 1/20 0.45
NPY1R P25929 1/20 0.44
BCL2L1 Q07817 1/20 0.43
MCL1 Q07820 1/20 0.43
TGFBR1 P36897 1/20 0.43
CCR8 P51685 1/20 0.43
ACACB O00763 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL4396771 1.00 NPY5R (0.55) NPY5RNSD2EDNRAMEN1KMT2A
SCHEMBL4445383 0.88 BCL2L1 (0.54) NPY5RNSD2EDNRAMEN1KMT2A
SCHEMBL13590690 0.87 ACACB (0.57) NPY5RNSD2EDNRAMEN1KMT2A
SCHEMBL4007555 0.82 NPY5R (0.67) NPY5RNSD2ALDH1A1NPY1RACACB
SCHEMBL4390192 0.82 NPY5R (0.67) NPY5RNSD2ALDH1A1NPY1RACACB
SCHEMBL23092875 0.77 EDNRA (0.55) NPY5RNSD2EDNRAMEN1KMT2A
SCHEMBL29900505 0.77 EDNRA (0.55) NPY5RNSD2EDNRAMEN1KMT2A
SCHEMBL4443344 0.76 LMNA (0.55) NSD2EDNRASMN1; SMN2USP30CCR8
SCHEMBL4397776 0.75 MEN1 (0.68) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL4397778 0.75 MEN1 (0.68) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA

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-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US claimed
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 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-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ACACA, ACACB, ACAT1 NPY5R 890/4885NSD2 2571/4885EDNRA 885/4885

“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.