SCHEMBL4182137

SCHEMBL4182137

CCCCC(C)CCC([NH])=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.47
MAPT P10636 1/20 0.46
CA2 P00918 5/20 0.39
MAPK1 P28482 2/20 0.39
CA1 P00915 3/20 0.38
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
BLM P54132 1/20 0.36
SLC15A1 P46059 1/20 0.36
FDPS P14324 1/20 0.35
MEN1 O00255 1/20 0.35
FAAH O00519 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7740680 0.88 ACE2 (0.53) ACE2CA2MAPK1CES2CES1
SCHEMBL7312905 0.86 TSHR (0.44) ACE2MAPTCA1CES2CES1
SCHEMBL7307113 0.83 ACE2 (0.42) ACE2MAPTCA1CES2CES1
SCHEMBL7307191 0.81 ACE2 (0.46) ACE2MAPTMAPK1CA1CES2
SCHEMBL28308951 0.80 MAPT (0.66) ACE2MAPTMEN1KMT2A
SCHEMBL1199985 0.80 MAPT (0.66) ACE2MAPTMEN1KMT2A
SCHEMBL416333 0.80 MAPT (0.66) ACE2MAPTMEN1KMT2A
SCHEMBL13752139 0.80 MAPT (0.66) ACE2MAPTMEN1KMT2A
SCHEMBL8811563 0.80 ACE2 (0.48) ACE2MAPTCA2MAPK1CA1
SCHEMBL1784064 0.80 ACE2 (0.48) ACE2MAPTCA2MAPK1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242103-B2 Sulphamides for treatment of cancer MERCK SHARP & DOHME LIMITED (GB) 2012-08-14 US disclosed
US-20090197904-A1 Sulphamides for Treatment of Cancer MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-08-06 US disclosed
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 US disclosed
EP-1885349-A2 SULPHAMIDES FOR TREATMENT OF CANCER Merck Sharp & Dohme Limited (GB) 2008-02-13 EP disclosed
EP-1268412-B8 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2007-02-21 EP disclosed
WO-2006123185-A2 SULPHAMIDES FOR TREATMENT OF CANCER MERCK SHARP & DOHME LIMITED (GB) 2006-11-23 WO disclosed
EP-1268412-B1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME (GB) 2006-11-22 EP disclosed
US-7138400-B2 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2006-11-21 US disclosed
EP-1334085-B1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2005-08-24 EP disclosed
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2004-03-11 US disclosed
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK CANADA INC. (CA) 2004-02-12 US disclosed
EP-1334085-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2003-08-13 EP disclosed
EP-1268412-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 2003-01-02 EP disclosed
WO-2002036555-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-10 WO disclosed
WO-2001070677-A1 SULPHONAMIDO-SUBSTITUTED BRIDGED BICYCLOALKYL DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 2001-09-27 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 (3 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-20090197904-A1 Sulphamides for Treatment of Cancer SDHA, SDHB, BRDT ACE2 3523/4885MAPT 4183/4885CA2 1472/4885
US-20040049038-A1 Sulfamides as gamma-secretase inhibitors BACE1, BACE2, PSEN1 ACE2 909/4885MAPT 544/4885CA2 3079/4885
US-20040029862-A1 Sulphonamido-substituted bridged bicycloalkyl derivatives BACE1, BACE2, PSEN2 ACE2 437/4885MAPT 39/4885CA2 2610/4885

“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.