SCHEMBL1820035

SCHEMBL1820035

CC(C)(C)OC(=O)Nc1cc(N)cnc1SCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC29A1 Q99808 1/20 0.43
IDO1 P14902 1/20 0.42
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BRD4 O60885 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SCN9A Q15858 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
GCK P35557 1/20 0.38
SCD O00767 1/20 0.38

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
SCHEMBL1816817 0.85 SLC29A1 (0.56) NPSR1MEN1KMT2ASLC29A1IDO1
SCHEMBL1817938 0.83 RORC (0.46) NPSR1MEN1KMT2ASLC29A1IDO1
SCHEMBL24577765 0.79 GCK (0.47) NPSR1MEN1KMT2ASLC29A1IDO1
SCHEMBL29759851 0.79 GCK (0.47) NPSR1MEN1KMT2ASLC29A1IDO1
SCHEMBL21789076 0.78 NPSR1 (0.41) NPSR1MEN1KMT2ASLC29A1IDO1
SCHEMBL31120650 0.76 NPSR1 (0.45) NPSR1MEN1KMT2ASLC29A1IDO1
SCHEMBL21783383 0.75 ALDH1A1 (0.44) NPSR1MEN1KMT2ASLC29A1IDO1
SCHEMBL30046630 0.75 ALDH1A1 (0.44) NPSR1MEN1KMT2ASLC29A1IDO1
SCHEMBL1815270 0.75 PKM (0.65) PKML3MBTL1PPARGALDH1A1TSHR
SCHEMBL19968761 0.74 SCN9A (0.47) NPSR1MEN1KMT2AIDO1PKM

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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011060199-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD NPSR1 3072/4885MEN1 818/4885KMT2A 1841/4885

“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.