SCHEMBL2175485

SCHEMBL2175485

CC(C)(C)OC(=O)[C@@H](Cc1cscn1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.39
GPR142 Q7Z601 2/20 0.35
SLC6A3 Q01959 2/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CAPN1 P07384 1/20 0.34
FOLH1 Q04609 1/20 0.34
DPP4 P27487 2/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
KDM4E B2RXH2 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
OPRD1 P41143 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.33
LY96 Q9Y6Y9 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 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
SCHEMBL2175492 1.00 SCN9A (0.39) SCN9AGPR142SLC6A3MAPK1NPSR1
SCHEMBL3136686 0.83 DPP4 (0.43) SCN9AGPR142SLC6A3MAPK1NPSR1
SCHEMBL25400431 0.82 TDP1 (0.39) GPR142SLC6A3MAPK1NPSR1CAPN1
SCHEMBL9565308 0.81 KDM4E (0.44) GPR142SLC6A3MAPK1NPSR1CAPN1
SCHEMBL1915753 0.80 SCN9A (0.37) SCN9AGPR142SLC6A3MAPK1NPSR1
SCHEMBL27413061 0.80 SCN9A (0.37) SCN9AGPR142SLC6A3MAPK1NPSR1
SCHEMBL478732 0.79 SCN9A (0.53) SCN9ACAPN1FOLH1CTSBCTSS
SCHEMBL5717580 0.79 SCN9A (0.53) SCN9ACAPN1FOLH1CTSBCTSS
SCHEMBL16288552 0.79 SCN9A (0.39) SCN9AGPR142SLC6A3MAPK1NPSR1
SCHEMBL478735 0.79 SCN9A (0.53) SCN9ACAPN1FOLH1CTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973047-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-07-05 US disclosed
US-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2010-09-02 US disclosed
US-7745484-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-06-29 US disclosed
EP-1971598-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-09-24 EP disclosed
US-20070185144-A1 Beta-secretase modulators and methods of use AMGEN INC. (US) 2007-08-09 US disclosed
WO-2007061670-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 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 (2 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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP SCN9A 1541/4885GPR142 1022/4885SLC6A3 4713/4885
US-20070185144-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP SCN9A 1541/4885GPR142 1022/4885SLC6A3 4713/4885

“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.