SCHEMBL3834737

SCHEMBL3834737

CN(N=O)C(C(=O)O)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FFAR1 O14842 1/20 0.38
AOC3 Q16853 1/20 0.38
KMT2A Q03164 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36

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
SCHEMBL5184055 0.82 AOC3 (0.42) HPGDTDP1FFAR1AOC3KMT2A
SCHEMBL2089224 0.82 AOC3 (0.42) HPGDTDP1FFAR1AOC3KMT2A
SCHEMBL756439 0.82 AOC3 (0.42) HPGDTDP1FFAR1AOC3KMT2A
Hydrochloric Acid SCHEMBL18920497 0.80 AOC3 (0.41) HPGDTDP1FFAR1AOC3KMT2A
SCHEMBL903669 0.74 HPGD (0.46) HPGDTDP1FFAR1AOC3KMT2A
SCHEMBL2485604 0.71 SLC6A2 (0.50) HPGDTDP1KMT2ANPSR1LMNA
SCHEMBL13388983 0.71 AOC3 (0.42) TDP1AOC3KMT2AHDAC3HDAC4
SCHEMBL25169591 0.70 TXNRD1 (0.36) HPGDTDP1AOC3KMT2ANPSR1
SCHEMBL25169590 0.70 TXNRD1 (0.36) HPGDTDP1AOC3KMT2ANPSR1
Hydrochloric Acid SCHEMBL1695675 0.70 SLC6A2 (0.49) HPGDTDP1KMT2ANPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611129-B1 CYCLIC SULFAMIDES FOR INHIBITION OF GAMMA-SECRETASE MERCK SHARP & DOHME (GB) 2009-09-30 EP disclosed
EP-1611129-B1 CYCLIC SULFAMIDES FOR INHIBITION OF GAMMA-SECRETASE MERCK SHARP & DOHME (GB) 2009-09-30 EP 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-7427621-B2 Cyclic sulfamides for inhibition of gamma-secretase MERCK SHARP & DOHME LIMITED (GB) 2008-09-23 US disclosed
US-20060135570-A1 Cyclic sulfamides for inhibiton of gamma-secretase MERCK SHARP & DOHME LTD. (GB) 2006-06-22 US disclosed
EP-1611129-A1 CYCLIC SULFAMIDES FOR INHIBITION OF GAMMA-SECRETASE MERCK SHARP & DOHME LTD. (GB) 2006-01-04 EP disclosed
WO-2004039800-A1 CYCLIC SULFAMIDES FOR INHIBITION OF GAMMA-SECRETASE MERCK SHARP & DOHME LIMITED (GB) 2004-05-13 WO disclosed
WO-2004039800-A1 CYCLIC SULFAMIDES FOR INHIBITION OF GAMMA-SECRETASE MERCK SHARP & DOHME LIMITED (GB) 2004-05-13 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 (1 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-20060135570-A1 Cyclic sulfamides for inhibiton of gamma-secretase BACE1, PSEN1, BACE2 HPGD 2005/4885TDP1 1617/4885FFAR1 3849/4885

“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.