SCHEMBL1023866

SCHEMBL1023866

Cn1[nH]c(=O)cc1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
TNKS2 Q9H2K2 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
RAD51 Q06609 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH4 Q9H3N8 1/20 0.36
PGR P06401 1/20 0.36
MAPK14 Q16539 2/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
GAA P10253 1/20 0.35
ADORA2A P29274 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
SCHEMBL8924898 0.81 NPC1 (0.45) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL5394842 0.70 MAPT (0.52) MAPTALDH1A1NPC1RAB9ARAD51
SCHEMBL10962285 0.67 KDM4E (0.41) MAPTALDH1A1NPC1RAB9ATP53
SCHEMBL30227871 0.67 PTGS2 (0.40) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL24189414 0.66 TAAR1 (0.35) MAPTALDH1A1MAPK14GAAADORA2A
SCHEMBL17290337 0.66 SLC11A2 (0.55) MAPTALDH1A1NPC1RAB9ARAD51
SCHEMBL256938 0.65 NPC1 (0.74) MAPTTNKS2ALDH1A1NPC1RAB9A
SCHEMBL30992381 0.64 SLC11A2 (0.40) MAPTALDH1A1NPC1RAB9ARAD51
SCHEMBL13977275 0.62 NOTUM (0.53) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL17884157 0.62 ALDH1A1 (0.47) ALDH1A1NPC1RAB9ARAD51TP53

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560580-B1 SULFONAMIDES, SULFAMATES AND SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2011-01-12 EP disclosed
EP-1611129-B1 CYCLIC SULFAMIDES FOR INHIBITION OF GAMMA-SECRETASE MERCK SHARP & DOHME (GB) 2009-09-30 EP disclosed
EP-1503998-B1 HETEROARYL SUBSTITUTED SPIROCYCLIC SUFAMIDES FOR INHIBITION OF GAMMA SECRETASE MERCK SHARP & DOHME (GB) 2009-07-01 EP disclosed
US-7435748-B2 Gamma-secretase inhibitors MERCK SHARP & DOHME LTD. (GB) 2008-10-14 US disclosed
US-7427621-B2 Cyclic sulfamides for inhibition of gamma-secretase MERCK SHARP & DOHME LIMITED (GB) 2008-09-23 US disclosed
US-20080070895-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase COLLINS IAN J 2008-03-20 US disclosed
US-20080070895-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase COLLINS IAN J 2008-03-20 US disclosed
US-20080070895-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase COLLINS IAN J 2008-03-20 US disclosed
US-7282513-B2 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME LIMITED (GB) 2007-10-16 US disclosed
US-7282513-B2 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME LIMITED (GB) 2007-10-16 US disclosed
US-20060173054-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-08-03 US disclosed
US-20060135570-A1 Cyclic sulfamides for inhibiton of gamma-secretase MERCK SHARP & DOHME LTD. (GB) 2006-06-22 US disclosed
US-7041689-B2 Heteroaryl substituted spriocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME LTD. (GB) 2006-05-09 US disclosed
US-20060069147-A1 Sulfonamides, sulfamates and sulfamides as gamma-secretase inhibitors MERCK SHARP & DOHME LTD. (GB) 2006-03-30 US disclosed
US-20050182109-A1 Heteroaryl substituted spriocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME (UK) LIMITED (GB) 2005-08-18 US disclosed
US-20050143369-A1 Gamma-secretase inhibitors MERCK SHARP & DOHME LTD. (GB) 2005-06-30 US disclosed
EP-1503998-A1 HETEROARYL SUBSTITUTED SPIROCYCLIC SUFAMIDES FOR INHIBITION OF GAMMA SECRETASE MERCK SHARP & DOHME LTD. (GB) 2005-02-09 EP disclosed
WO-2004089911-A1 PYRAZOLE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS USEFUL IN THE TREATMENT OF ALZHEIMER’S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2004-10-21 WO disclosed
WO-2004089911-A1 PYRAZOLE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS USEFUL IN THE TREATMENT OF ALZHEIMER’S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2004-10-21 WO disclosed
WO-2003093252-A1 HETEROARYL SUBSTITUTED SPIROCYCLIC SULFAMIDES FOR INHIBITION OF GAMMA SECRETASE MERCK SHARP & DOHME LIMITED (GB) 2003-11-13 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 (6 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-20050182109-A1 Heteroaryl substituted spriocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 MAPT 392/4885TNKS2 2142/4885ALDH1A1 2941/4885
US-20060135570-A1 Cyclic sulfamides for inhibiton of gamma-secretase BACE1, PSEN1, BACE2 MAPT 773/4885TNKS2 2760/4885ALDH1A1 2779/4885
US-20060069147-A1 Sulfonamides, sulfamates and sulfamides as gamma-secretase inhibitors BACE1, GSAP, BACE2 MAPT 274/4885TNKS2 2194/4885ALDH1A1 1855/4885
US-20060173054-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 MAPT 373/4885TNKS2 2386/4885ALDH1A1 2492/4885
US-20080070895-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 MAPT 373/4885TNKS2 2386/4885ALDH1A1 2492/4885
US-20050143369-A1 Gamma-secretase inhibitors BACE1, BACE2, PSEN1 MAPT 32/4885TNKS2 1651/4885ALDH1A1 1963/4885

“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.