SCHEMBL3601

SCHEMBL3601

COC(=O)CC(C)(N)c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53BP1 Q12888 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL10775 1.00 MEN1 (0.40) MEN1KMT2ASMN1; SMN2CA1CA2
SCHEMBL28231923 0.86 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2GAAKDM4E
SCHEMBL20669809 0.85 MEN1 (0.42) MEN1KMT2ASMN1; SMN2CA1CA2
SCHEMBL21981930 0.83 CYP2C19 (0.47) MEN1KMT2ASMN1; SMN2CA1CA2
SCHEMBL21981929 0.83 CYP2C19 (0.47) MEN1KMT2ASMN1; SMN2CA1CA2
SCHEMBL3186037 0.83 CA1 (0.41) MEN1KMT2ASMN1; SMN2CA1CA2
SCHEMBL26258002 0.82 SMN1; SMN2 (0.48) MEN1KMT2ASMN1; SMN2GAAKDM4E
SCHEMBL7732420 0.81 KMT2A (0.44) MEN1KMT2ASMN1; SMN2GAAKDM4E
SCHEMBL7736251 0.81 KMT2A (0.44) MEN1KMT2ASMN1; SMN2GAAKDM4E
Hydrochloric Acid SCHEMBL25401728 0.81 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2GAAKDM4E

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-2485590-B1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2015-01-07 EP disclosed
US-8557826-B2 Pentafluorosulfur imino heterocyclic compounds as BACE-1 inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-15 US disclosed
EP-2485590-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE Merck Sharp & Dohme Corp. (US) 2012-08-15 EP disclosed
US-20120148603-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-06-14 US disclosed
WO-2011044184-A1 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-20120148603-A1 PENTAFLUOROSULFUR IMINO HETEROCYCLIC COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 MEN1 588/4885KMT2A 3778/4885SMN1; SMN2 396/4885

“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.