SCHEMBL3100581

SCHEMBL3100581

COc1ccc2cc(NC(=O)O)c(=O)oc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.64
ALDH1A1 P00352 7/20 0.62
KDM4E B2RXH2 7/20 0.62
HPGD P15428 6/20 0.62
HSD17B10 Q99714 5/20 0.62
GAA P10253 4/20 0.62
GLA P06280 4/20 0.62
CASP1 P29466 1/20 0.62
CASP7 P55210 1/20 0.62
MAOB P27338 4/20 0.60
ACHE P22303 1/20 0.58
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
CA12 O43570 3/20 0.57
CA9 Q16790 3/20 0.57
CA2 P00918 2/20 0.57
CA3 P07451 2/20 0.57
CA4 P22748 2/20 0.57
CA6 P23280 2/20 0.57
CA7 P43166 2/20 0.57

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
SCHEMBL11402546 0.89 SLC16A3 (0.61) SLC16A3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11396698 0.89 ALDH1A1 (0.78) SLC16A3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11395960 0.84 ALDH1A1 (0.61) SLC16A3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11423923 0.81 SLC16A3 (0.57) SLC16A3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4037662 0.80 NPC1 (0.60) SLC16A3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30488625 0.79 GLA (0.62) SLC16A3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11402397 0.78 MAPT (0.67) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL203997 0.78 SLC16A3 (1.00) SLC16A3ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11397132 0.78 MAPT (0.70) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL10305766 0.77 ALDH1A1 (0.63) SLC16A3ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-7803630-B2 Method for detecting target compounds containing sulfenic acids using new reagents WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2010-09-28 US claimed
US-20080070261-A1 SULFENIC ACID-REACTIVE COMPOUNDS WAKE FOREST UNIVERSITY HEALTH SCIENCES 2008-03-20 US claimed
US-7294748-B2 Sulfenic acid-reactive compounds and their methods of synthesis WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2007-11-13 US claimed
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 claimed
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 claimed
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-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-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
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 SLC16A3 3916/4885ALDH1A1 138/4885KDM4E 3725/4885
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 SLC16A3 4077/4885ALDH1A1 323/4885KDM4E 3681/4885

“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.