SCHEMBL2584632

SCHEMBL2584632

O=C(Cl)ON1C(=O)C2C3C=CC(C3)C2C1=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 7/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 2/20 0.49
MAPK1 P28482 1/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.45
USP2 O75604 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RECQL P46063 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL13700490 0.87 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL20919927 0.87 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL21987044 0.87 ALDH1A1 (0.57) ALDH1A1TDP1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL21987045 0.85 ALDH1A1 (0.55) ALDH1A1TDP1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL21987047 0.85 ALDH1A1 (0.55) ALDH1A1TDP1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL20919929 0.85 ALDH1A1 (0.55) ALDH1A1TDP1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL1006031 0.84 ALDH1A1 (0.53) ALDH1A1TDP1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL2293432 0.83 SMN1; SMN2 (0.49) ALDH1A1TDP1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL4274070 0.82 MAPK1 (0.53) ALDH1A1TDP1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL14384743 0.82 KMT2A (0.58) ALDH1A1TDP1SMN1; SMN2L3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0134041-B1 N-CHLOROCARBONYLOXY-5-NORBORNENE-2,3-DICARBOXIMIDE, PROCESS FOR ITS PREPARATION AND ITS USE Akademie der Wissenschaften der DDR (DE) 1988-04-06 EP claimed
US-RE43802-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-11-13 US disclosed
US-RE43596-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-08-21 US disclosed
US-RE42889-E1 α- and β- amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2011-11-01 US disclosed
US-7829564-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2010-11-09 US disclosed
US-7585925-B2 Method of producing a polymer network DR. GOTTSCHALL INSTRUCTION GESELLSCHAFT FUR TECHNISCHE CHROMATOGRAPHIE MBH (DE) 2009-09-08 US disclosed
US-7585925-B2 Method of producing a polymer network DR. GOTTSCHALL INSTRUCTION GESELLSCHAFT FUR TECHNISCHE CHROMATOGRAPHIE MBH (DE) 2009-09-08 US disclosed
US-7531538-B2 α- and β-Amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2009-05-12 US disclosed
US-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2009-01-22 US disclosed
US-20080255344-A1 Immuno-Adsorbers For Treatment of Inflammations HEINRICH HANS-WERNER 2008-10-16 US disclosed
EP-0656887-B1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1998-10-28 EP disclosed
US-5786483-A α-and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 1998-07-28 US disclosed
US-5744481-A β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 1998-04-28 US disclosed
EP-0715618-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP disclosed
EP-0656887-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-14 EP disclosed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed
WO-1994004492-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-03-03 WO disclosed
US-4714768-A CHEMICAL INTERMEDIATES AKADEMIE DER WISSENSCHAFTEN DER DDR (DD) 1987-12-22 US disclosed
US-4714768-A CHEMICAL INTERMEDIATES AKADEMIE DER WISSENSCHAFTEN DER DDR (DD) 1987-12-22 US disclosed
EP-0134041-A1 N-Chlorocarbonyloxy-5-norbornene-2,3-dicarboximide, process for its preparation and its use Akademie der Wissenschaften der DDR (DE) 1985-03-13 EP 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-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS DNPEP, ASPH, PREP ALDH1A1 1555/4885TDP1 1447/4885SMN1; SMN2 2396/4885

“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.