SCHEMBL10107599

SCHEMBL10107599

Cc1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 12/20 1.00
CXCL8 P10145 4/20 1.00
NOD2 Q9HC29 2/20 1.00
GAA P10253 1/20 1.00
ALDH3A1 P30838 5/20 0.74
HTT P42858 2/20 0.65
ALDH1A1 P00352 1/20 0.65
HPGD P15428 1/20 0.65
HSD17B10 Q99714 1/20 0.65
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
TP53 P04637 1/20 0.56
SLC9A1 P19634 1/20 0.54

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
SCHEMBL29399999 1.00 NOD1 (1.00) NOD1CXCL8NOD2GAAALDH3A1
SCHEMBL14247143 0.88 NOD1 (1.00) NOD1CXCL8NOD2GAAALDH3A1
SCHEMBL8042793 0.82 ALDH3A1 (0.74) NOD1CXCL8NOD2GAAALDH3A1
SCHEMBL28449805 0.82 ALDH3A1 (0.74) NOD1CXCL8NOD2GAAALDH3A1
SCHEMBL28309197 0.81 ALDH3A1 (0.72) NOD1CXCL8NOD2GAAALDH3A1
SCHEMBL21066371 0.81 NOD1 (0.67) NOD1CXCL8NOD2GAAALDH3A1
SCHEMBL16671930 0.78 NOD1 (0.70) NOD1CXCL8NOD2GAAALDH3A1
SCHEMBL4873241 0.78 NOD1 (0.66) NOD1CXCL8NOD2GAAALDH3A1
SCHEMBL21349201 0.77 ALDH3A1 (0.66) NOD1CXCL8NOD2GAAALDH3A1
SCHEMBL28144731 0.77 ALDH3A1 (0.65) NOD1CXCL8NOD2GAAALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021198511-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF SARS-COV-2 INFECTION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2021-10-07 WO claimed
WO-2016160880-A1 METHODS AND COMPOSITIONS FOR TREATING PANCREATITIS BAYLOR RESEARCH INSTITUTE (US) 2016-10-06 WO claimed
US-20230277559-A1 Compositions and Methods for the Treatment of Inflammation in Urological Pathology DUKE UNIVERSITY (US) 2023-09-07 US disclosed
US-11559536-B2 Compositions and methods for the treatment of inflammation in urological pathology DUKE UNIVERSITY (US) 2023-01-24 US disclosed
EP-3956446-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF NLRP3 INFLAMMASOME MEDIATED IL-1BETA DEPENDENT DISORDERS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2022-02-23 EP disclosed
US-20200368257-A1 Compositions and Methods for the Treatment of Inflammation in Urological Pathology DUKE UNIVERSITY 2020-11-26 US disclosed
WO-2020212484-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF NLRP3 INFLAMMASOME MEDIATED IL-1BETA DEPENDENT DISORDERS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2020-10-22 WO disclosed
US-10471139-B2 Toll-like receptor agonists THE UNIVERSITY OF KANSAS (US) 2019-11-12 US disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
EP-3500567-A1 ANTIBIOTIC COMPOUNDS Discuva Ltd. (GB) 2019-06-26 EP disclosed
WO-2018037223-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2018-03-01 WO disclosed
WO-2016160880-A1 METHODS AND COMPOSITIONS FOR TREATING PANCREATITIS BAYLOR RESEARCH INSTITUTE (US) 2016-10-06 WO disclosed
US-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS 2016-06-16 US disclosed
WO-2015023958-A1 TOLL-LIKE RECEPTOR AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-02-19 WO disclosed
WO-2015003246-A1 COMBINATION OF A STATIN WITH AN INFLAMMASOME INHIBITOR MCMASTER UNIVERSITY (CA) 2015-01-15 WO disclosed
US-20120046329-A1 MODULATORS OF NOD1 AND NOD2 SIGNALING, METHODS OF IDENTIFYING MODULATORS OF NOD1 AND NOD2 SIGNALING, AND USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-02-23 US disclosed
US-20120046329-A1 MODULATORS OF NOD1 AND NOD2 SIGNALING, METHODS OF IDENTIFYING MODULATORS OF NOD1 AND NOD2 SIGNALING, AND USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2012-02-23 US disclosed
WO-2012021647-A2 MODULATORS OF NOD1 AND NOD2 SIGNALING, METHODS OF IDENTIFYING MODULATORS OF NOD1 AND NOD2 SIGNALING, AND USES THEREOF SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-16 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 (4 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-20160166681-A1 TOLL-LIKE RECEPTOR AGONISTS TLR1, TLR7, TLR8 NOD1 13/4885CXCL8 26/4885NOD2 12/4885
US-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 NOD1 207/4885CXCL8 1185/4885NOD2 96/4885
US-10471139-B2 Toll-like receptor agonists TLR1, TLR7, TLR8 NOD1 13/4885CXCL8 26/4885NOD2 12/4885
US-20120046329-A1 MODULATORS OF NOD1 AND NOD2 SIGNALING, METHODS OF IDENTIFYING MODULATORS OF NOD1 AND NOD2 SIGNALING, AND USES THEREOF NOD2, NOD1, NLRP1 NOD1 2/4885CXCL8 199/4885NOD2 1/4885

“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.