SCHEMBL13615353

SCHEMBL13615353

CCOc1ccc(COC(=O)NC(=N)SC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NAAA Q02083 1/20 0.44
ASAH1 Q13510 1/20 0.44
LMNA P02545 4/20 0.43
POLB P06746 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 2/20 0.41
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL1484730 0.81 ALDH1A1 (0.50) LMNAPOLBCYP1A2ALDH1A1NPC1
SCHEMBL16596096 0.78 PLK1 (0.56) MAPTL3MBTL1NAAAASAH1LMNA
SCHEMBL17771641 0.77 MAPT (0.57) MAPTL3MBTL1NAAAASAH1LMNA
SCHEMBL8562608 0.74 GAA (0.39) L3MBTL1LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL13034122 0.73 ALDH1A1 (0.60) MAPTL3MBTL1LMNAPOLBTDP1
SCHEMBL1224023 0.72 TP53 (0.71) MAPTLMNAPOLBTDP1MEN1
SCHEMBL14303017 0.71 PARP10 (0.53) MAPTL3MBTL1LMNAPOLBTDP1
SCHEMBL14420495 0.71 PARP10 (0.58) MAPTL3MBTL1LMNAPOLBTDP1
SCHEMBL14637792 0.71 ALDH1A1 (0.56) MAPTL3MBTL1LMNAPOLBTDP1
SCHEMBL28285615 0.71 NPC1 (0.53) MAPTL3MBTL1LMNAPOLBTDP1

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
US-7612069-B2 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-03 US disclosed
US-7601751-B2 Indole acetic acid acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-13 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-20070049589-A1 Indole acetic acid acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 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 (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-20070049589-A1 Indole acetic acid acyl guanidines as beta-secretase inhibitors BACE1, APP, BACE2 MAPT 164/4885L3MBTL1 2224/4885NAAA 29/4885
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BACE1, APP, BACE2 MAPT 96/4885L3MBTL1 1995/4885NAAA 78/4885

“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.