SCHEMBL20657635

SCHEMBL20657635

CC(C)(C)OC(=O)Nc1ccc(N(c2ccc(C(C)(C)C)cc2)[SH](=O)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
XBP1 P17861 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
KIF11 P52732 1/20 0.43
CYP17A1 P05093 2/20 0.43
TRPV1 Q8NER1 4/20 0.43
HDAC3 O15379 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 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
SCHEMBL10176299 0.87 SMN1; SMN2 (0.54) NAMPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL20469627 0.80 MEN1 (0.53) NAMPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL13055402 0.78 CYP17A1 (0.59) NAMPTSMN1; SMN2L3MBTL1CYP17A1PSMB8
SCHEMBL30531135 0.77 PSMB8 (0.51) NAMPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL19853212 0.77 NAMPT (0.54) NAMPTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL907521 0.76 NAMPT (0.46) NAMPTSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL29330298 0.76 CYP17A1 (0.49) NAMPTMEN1KMT2ANPC1RAB9A
SCHEMBL28298376 0.76 NAMPT (0.52) NAMPTSMN1; SMN2L3MBTL1CYP17A1PSMB8
SCHEMBL907174 0.75 NR1H4 (0.56) NAMPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL31619134 0.75 MAPT (0.71) SMN1; SMN2MEN1KMT2ANPC1RAB9A

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-20190022039-A1 COMPOUND HAVING ENHANCING ACTIVITY FOR GLUCAGON-LIKE PEPTIDE-1 RECEPTOR ACTIONS AJINOMOTO CO., INC. (JP) 2019-01-24 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-20190022039-A1 COMPOUND HAVING ENHANCING ACTIVITY FOR GLUCAGON-LIKE PEPTIDE-1 RECEPTOR ACTIONS GLP1R, GPR119, GIPR NAMPT 2069/4885SMN1; SMN2 3136/4885MEN1 1833/4885

“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.