SCHEMBL4340596

SCHEMBL4340596

COc1ccc(-c2onc(C)c2C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HPGD P15428 3/20 0.55
KDM4E B2RXH2 2/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 2/20 0.52
RECQL P46063 1/20 0.52
BACE1 P56817 1/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.47
NR4A2 P43354 1/20 0.47
P2RX3 P56373 1/20 0.45
PTGS1 P23219 2/20 0.44
SLC6A9 P48067 1/20 0.44
PTGS2 P35354 1/20 0.44
PDE3A Q14432 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL17736161 0.87 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EPOLBMAPT
SCHEMBL25284190 0.85 HSD17B10 (0.50) ALDH1A1HPGDKDM4EPOLBMAPT
SCHEMBL15280716 0.84 RAB9A (0.52) ALDH1A1HPGDKDM4EPOLBMAPT
SCHEMBL31526118 0.83 POLB (0.61) ALDH1A1HPGDKDM4EPOLBMAPT
SCHEMBL4333981 0.83 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL14789796 0.83 RAB9A (0.51) ALDH1A1HPGDKDM4EPOLBMAPT
SCHEMBL13508 0.83 PTGS1 (0.51) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL22467553 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBMAPTKMT2A
SCHEMBL20532735 0.82 PTGS1 (0.52) ALDH1A1HPGDKDM4EPOLBMAPT
SCHEMBL16059909 0.82 PTGS1 (0.52) ALDH1A1HPGDKDM4EPOLBMAPT

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 14 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-7612069-B2 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-03 US disclosed
US-7612069-B2 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-03 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 US disclosed
WO-2007002214-A2 ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
WO-2007002214-A2 ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
WO-2007002220-A2 AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
WO-2007002220-A2 AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 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-20060287287-A1 Aminoacetamide acyl guanidines as beta-secretase inhibitors APP, BACE1, BACE2 ALDH1A1 2529/4885HPGD 2463/4885KDM4E 2380/4885
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BACE1, APP, BACE2 ALDH1A1 2144/4885HPGD 2457/4885KDM4E 2356/4885

“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.