SCHEMBL5065638

SCHEMBL5065638

O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
KMT2A Q03164 3/20 0.59
MCOLN3 Q8TDD5 1/20 0.59
NPC1 O15118 1/20 0.57
MEN1 O00255 2/20 0.57
HTT P42858 2/20 0.57
ACHE P22303 1/20 0.55
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
EPHX2 P34913 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL8882067 1.00 ALDH1A1 (0.59) ALDH1A1KMT2AMCOLN3NPC1MEN1
SCHEMBL6926208 1.00 ALDH1A1 (0.59) ALDH1A1KMT2AMCOLN3NPC1MEN1
SCHEMBL18337953 0.96 ALDH1A1 (0.65) ALDH1A1KMT2AMCOLN3NPC1MEN1
SCHEMBL18337954 0.96 ALDH1A1 (0.65) ALDH1A1KMT2AMCOLN3NPC1MEN1
SCHEMBL5702208 0.93 NPC1 (0.58) ALDH1A1KMT2AMCOLN3NPC1MEN1
SCHEMBL6928231 0.93 NPC1 (0.58) ALDH1A1KMT2AMCOLN3NPC1MEN1
SCHEMBL5701909 0.93 NPC1 (0.58) ALDH1A1KMT2AMCOLN3NPC1MEN1
SCHEMBL28902285 0.88 NPC1 (0.66) ALDH1A1KMT2AMCOLN3NPC1MEN1
SCHEMBL7981690 0.85 ALDH1A1 (0.58) ALDH1A1KMT2AMCOLN3NPC1MEN1
SCHEMBL6096659 0.85 ALDH1A1 (0.56) ALDH1A1KMT2AMCOLN3NPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064643-A1 Myd88 Homodimerization Inhibitors SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-03-13 US disclosed
EP-1828246-A1 MYD88 HOMODIMERIZATION INHIBITORS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2007-09-05 EP disclosed
WO-2006067091-A1 MYD88 HOMODIMERIZATION INHIBITORS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-06-29 WO disclosed
EP-1321454-A1 PROCESS FOR THE REMOVAL OF NITROBENZENESULFONYL Kaneka Corporation (JP) 2003-06-25 EP disclosed
US-6515179-B2 Reacting nitrobenzenesulfonyl group containing compound contacting with alkali metal alkoxide KANEKA CORPORATION (JP) 2003-02-04 US disclosed
US-20030009056-A1 PROCESS FOR THE REMOVAL OF NITROBENZENESULFONYL KANEKA CORPORATION (JP) 2003-01-09 US disclosed
US-5677316-A BACTERICIDES YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-10-14 US disclosed
EP-0677522-A1 8-METHOXYQUINOLONECARBOXYLIC ACID DERIVATIVE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-10-18 EP disclosed
US-5273998-A Process for making an optically active 3,4-dihydro-3,4-epoxy-2H-1-benzopyran compound YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-12-28 US disclosed
US-5177216-A DIASTEREOMERIC ESTER COMPOUND USEFUL AS AN INTERMEDIATE IN THE MAKING OF AN OPTICALLY ACTIVE 3,4-DIHYDRO-3,4-EPOXY-2H-1-BENZOPYRAN COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-01-05 US disclosed
EP-0456266-A1 Method for preparing optically active 3,4-dihydro-3,4-epoxy-2H-1-benzopyran compounds, intermediates therefor and uses thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-11-13 EP disclosed
US-4482486-A Analogs of vasopressin CESKOSLOVENSKA AKADEMIE VED (CS) 1984-11-13 US 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-20080064643-A1 Myd88 Homodimerization Inhibitors MYD88, TLR4, TLR6 ALDH1A1 4229/4885KMT2A 3707/4885MCOLN3 3297/4885
US-20030009056-A1 PROCESS FOR THE REMOVAL OF NITROBENZENESULFONYL NAAA, TST, AADAC ALDH1A1 2030/4885KMT2A 82/4885MCOLN3 4325/4885

“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.