SCHEMBL6837559

SCHEMBL6837559

CC(=O)N(O)c1ccc(OCCN(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
KDM4E B2RXH2 4/20 0.50
LTA4H P09960 2/20 0.50
POLB P06746 1/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
ESR1 P03372 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47

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
SCHEMBL10528334 0.83
SCHEMBL3279381 0.80 ALDH1A1 (0.55) POLBSMN1; SMN2ALDH1A1CYP1A2
Acetic Acid SCHEMBL28739551 0.79 LTA4H (0.56) HRH3KDM4ELTA4HPOLBKEAP1
SCHEMBL631252 0.78 L3MBTL1 (0.70) HRH3KDM4ELTA4HPOLBKEAP1
SCHEMBL56046 0.77 HRH3 (0.63) HRH3KDM4ELTA4HKEAP1NFE2L2
Hydrochloric Acid SCHEMBL5412869 0.77 L3MBTL1 (0.68) HRH3KDM4ELTA4HPOLBKEAP1
SCHEMBL12010844 0.76 HRH3 (0.58) HRH3KDM4ELTA4HPOLBKEAP1
SCHEMBL6057420 0.76 ESR1 (0.59) HRH3KDM4ELTA4HPOLBKEAP1
SCHEMBL7150669 0.75 HRH3 (0.62) HRH3KDM4ELTA4HPOLBKEAP1
SCHEMBL3600523 0.75 KEAP1 (0.51) HRH3KDM4ELTA4HPOLBKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030008849-A1 Acetylenic alpha -amino acid-based sulfonamide hydroxamic acid tace inhibitors LEVIN JEREMY I (US) 2003-01-09 US claimed
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH (US) 2004-02-19 US disclosed
US-20030008849-A1 Acetylenic alpha -amino acid-based sulfonamide hydroxamic acid tace inhibitors LEVIN JEREMY I (US) 2003-01-09 US disclosed
EP-1144368-A2 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 EP disclosed
WO-2000044709-A2 ACETYLENIC α-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 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 (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-20030008849-A1 Acetylenic alpha -amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 HRH3 1098/4885KDM4E 3928/4885LTA4H 1095/4885
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 HRH3 1098/4885KDM4E 3928/4885LTA4H 1095/4885

“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.