SCHEMBL9484

SCHEMBL9484

CNC(=S)NC(=O)NC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.50
LMNA P02545 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 2/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 2/20 0.33
EPHX2 P34913 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL17813823 0.78
SCHEMBL603670 0.75
SCHEMBL10621993 0.75
SCHEMBL133932 0.71 NPC1 (0.44) EPHX1LMNAMEN1KMT2AALDH1A1
SCHEMBL14112243 0.70
SCHEMBL25039061 0.69 CRBN (0.43) EPHX1LMNAMEN1KMT2AALDH1A1
SCHEMBL12747930 0.69 ALDH1A1 (0.41) EPHX1LMNAMEN1KMT2AALDH1A1
SCHEMBL23676967 0.69 MEN1 (0.36) EPHX1LMNAMEN1KMT2AALDH1A1
SCHEMBL20615036 0.68 ALDH1A1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL10394064 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2485920-B1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2016-04-27 EP disclosed
US-8569310-B2 Pentafluorosulfur imino heterocyclic compounds as BACE-1 inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
EP-2485920-A2 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE Merck Sharp & Dohme Corp. (US) 2012-08-15 EP disclosed
US-20120195881-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS AND THEIR USE SCHERING CORPORATION (US) 2012-08-02 US disclosed
WO-2011044185-A2 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2011-04-14 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-20120195881-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, APP, BACE2 EPHX1 944/4885LMNA 2451/4885MEN1 948/4885

“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.