SCHEMBL3109526

SCHEMBL3109526

CCOC1=CC(=O)C(CCCO)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP8 Q96LD8 1/20 0.46
NLRP3 Q96P20 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.32
MAPT P10636 2/20 0.32
PPARD Q03181 1/20 0.31
PGR P06401 1/20 0.31
CYP19A1 P11511 2/20 0.30
NQO2 P16083 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL10972981 0.88 NPC1 (0.51) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL3369940 0.87 NPC1 (0.50) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL10973763 0.84 NPC1 (0.61) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL15684095 0.79 NPC1 (0.46) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL13061505 0.79 NPC1 (0.39) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL10407149 0.78 NPC1 (0.45) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL15355707 0.78 NPC1 (0.36) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL3107486 0.77 NPC1 (0.39) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL10406571 0.77 NPC1 (0.42) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL3340050 0.77 NPC1 (0.40) NPC1CASP3RAB9ASENP8NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841132-B2 Method for detecting compounds containing sulfenic acid using a 1,3-cyclohexanedione-based probe WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2014-09-23 US disclosed
US-8841132-B2 Method for detecting compounds containing sulfenic acid using a 1,3-cyclohexanedione-based probe WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2014-09-23 US disclosed
US-8841132-B2 Method for detecting compounds containing sulfenic acid using a 1,3-cyclohexanedione-based probe WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2014-09-23 US disclosed
US-20130288268-A1 SULFENIC ACID-REACTIVE COMPOUNDS AND THEIR METHODS OF SYNTHESIS AND USE IN DETECTION OR ISOLATION OF SULFENIC ACID-CONTAINING COMPOUNDS UNIV WAKE FOREST HEALTH SCIENCES (US) 2013-10-31 US disclosed
US-20130288268-A1 SULFENIC ACID-REACTIVE COMPOUNDS AND THEIR METHODS OF SYNTHESIS AND USE IN DETECTION OR ISOLATION OF SULFENIC ACID-CONTAINING COMPOUNDS UNIV WAKE FOREST HEALTH SCIENCES (US) 2013-10-31 US disclosed
US-20130288268-A1 SULFENIC ACID-REACTIVE COMPOUNDS AND THEIR METHODS OF SYNTHESIS AND USE IN DETECTION OR ISOLATION OF SULFENIC ACID-CONTAINING COMPOUNDS UNIV WAKE FOREST HEALTH SCIENCES (US) 2013-10-31 US disclosed
US-8486642-B2 Method of synthesizing 1,3-cyclohexadione derived reagents useful for detection or isolation of sulfenic acid-containing compounds WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2013-07-16 US disclosed
US-8486642-B2 Method of synthesizing 1,3-cyclohexadione derived reagents useful for detection or isolation of sulfenic acid-containing compounds WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2013-07-16 US disclosed
US-8486642-B2 Method of synthesizing 1,3-cyclohexadione derived reagents useful for detection or isolation of sulfenic acid-containing compounds WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2013-07-16 US disclosed
US-20100317027-A1 SULFENIC ACID-REACTIVE COMPOUNDS AND THEIR METHODS OF SYNTHESIS AND USE IN DETECTION OR ISOLATION OF SULFENIC ACID-CONTAINING COMPOUNDS POOLE LESLIE B 2010-12-16 US disclosed
US-7803630-B2 Method for detecting target compounds containing sulfenic acids using new reagents WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2010-09-28 US disclosed
US-7803630-B2 Method for detecting target compounds containing sulfenic acids using new reagents WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2010-09-28 US disclosed
US-20080070261-A1 SULFENIC ACID-REACTIVE COMPOUNDS WAKE FOREST UNIVERSITY HEALTH SCIENCES 2008-03-20 US disclosed
US-20080070261-A1 SULFENIC ACID-REACTIVE COMPOUNDS WAKE FOREST UNIVERSITY HEALTH SCIENCES 2008-03-20 US disclosed
US-20080070261-A1 SULFENIC ACID-REACTIVE COMPOUNDS WAKE FOREST UNIVERSITY HEALTH SCIENCES 2008-03-20 US disclosed
US-7294748-B2 Sulfenic acid-reactive compounds and their methods of synthesis WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2007-11-13 US disclosed
US-7294748-B2 Sulfenic acid-reactive compounds and their methods of synthesis WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2007-11-13 US disclosed
US-7294748-B2 Sulfenic acid-reactive compounds and their methods of synthesis WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2007-11-13 US disclosed
WO-2006044364-A2 SULFENIC ACID-REACTIVE COMPOUNDS AND THEIR METHODS OF SYNTHESIS AND USE IN DETECTION OR ISOLATION OF SULFENIC ACID-CONTAINING COMPOUNDS WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2006-04-27 WO disclosed
US-20060084173-A1 Sulfenic acid-reactive compounds and their methods of synthesis and use in detection or isolation of sulfenic acid-containing compounds WAKE FOREST UNIVERSITY HEALTH SCIENCES 2006-04-20 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-20080070261-A1 SULFENIC ACID-REACTIVE COMPOUNDS QSOX1, SQOR, PRDX1 NPC1 4823/4885CASP3 2845/4885RAB9A 1596/4885
US-20100317027-A1 SULFENIC ACID-REACTIVE COMPOUNDS AND THEIR METHODS OF SYNTHESIS AND USE IN DETECTION OR ISOLATION OF SULFENIC ACID-CONTAINING COMPOUNDS QSOX1, SQOR, TST NPC1 4846/4885CASP3 3009/4885RAB9A 1913/4885

“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.