SCHEMBL4051076

SCHEMBL4051076

Cn1nc(OS(=O)(=O)C(F)(F)F)cc1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.41
PTGS1 P23219 4/20 0.41
ASIC1 P78348 1/20 0.41
RAB9A P51151 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PRCP P42785 1/20 0.37
SCN9A Q15858 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
STAT3 P40763 1/20 0.35
STAT1 P42224 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TLR9 Q9NR96 1/20 0.35
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL17662695 0.75 PKM (0.38) RAB9AKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL4050889 0.75 PKM (0.56) RAB9AALDH1A1SMN1; SMN2NPSR1
SCHEMBL14045048 0.75 PTGS2 (0.37) PTGS2PTGS1SMN1; SMN2NPSR1
SCHEMBL24425229 0.72 PKM (0.57) ASIC1HDAC6KDM4EALDH1A1NR1H4
SCHEMBL3489600 0.71 PTGS2 (0.55) PTGS2PTGS1RAB9AHDAC6KDM4E
SCHEMBL16141253 0.70 DRD2 (0.38) PTGS2
SCHEMBL27037831 0.70 PDE4A (0.33)
SCHEMBL24038175 0.70 KIF11 (0.49) RAB9A
SCHEMBL15569210 0.70 CACNB4 (0.66)
SCHEMBL14019405 0.70 MALT1 (0.41) PTGS2PTGS1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-20070088063-A1 Gamma-secretase inhibitors CASTRO PINEIRO JOSE L 2007-04-19 US disclosed
US-7183303-B2 Gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2007-02-27 US disclosed
US-7183303-B2 Gamma-secretase inhibitors MERCK SHARP & DOHME LIMITED (GB) 2007-02-27 US disclosed
US-20060264474-A1 Pyrazole derivatives as gamma-secretase inhibitors useful in the treatment of alzheimer's disease MERCK SHARP & DOHME LTD. (GB) 2006-11-23 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-7041689-B2 Heteroaryl substituted spriocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME LTD. (GB) 2006-05-09 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
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-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 (5 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 PTGS2 2083/4885PTGS1 1886/4885ASIC1 4029/4885
US-20060264474-A1 Pyrazole derivatives as gamma-secretase inhibitors useful in the treatment of alzheimer's disease BACE1, BACE2, PSEN1 PTGS2 1447/4885PTGS1 944/4885ASIC1 4586/4885
US-20060173054-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 PTGS2 2138/4885PTGS1 1654/4885ASIC1 3703/4885
US-20080070895-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 PTGS2 2138/4885PTGS1 1654/4885ASIC1 3703/4885
US-20070088063-A1 Gamma-secretase inhibitors BACE1, BACE2, PSEN1 PTGS2 1603/4885PTGS1 942/4885ASIC1 4179/4885

“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.