SCHEMBL3474793

SCHEMBL3474793

Nc1ncc(S(=O)(=O)O)s1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.55
SLC6A3 Q01959 1/20 0.55
NOS1 P29475 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CSNK2A1 P68400 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
MYC P01106 1/20 0.34
WDR5 P61964 1/20 0.34
LOXL2 Q9Y4K0 6/20 0.34
TSHR P16473 2/20 0.33
NT5E P21589 1/20 0.32
BACE1 P56817 1/20 0.32
EPHX2 P34913 1/20 0.31

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
Hydrochloric Acid SCHEMBL28327830 0.98 ADORA3 (0.53) ADORA3SLC6A3NOS1ALDH1A1HPGD
SCHEMBL1241096 0.80 ADORA3 (0.56) ADORA3SLC6A3NOS1ALDH1A1HPGD
SCHEMBL1062364 0.78 ADORA3 (0.55) ADORA3SLC6A3NOS1ALDH1A1HPGD
SCHEMBL28327828 0.78 ADORA3 (0.55) ADORA3SLC6A3NOS1ALDH1A1HPGD
SCHEMBL1063493 0.78 ADORA3 (0.50) ADORA3SLC6A3NOS1ALDH1A1HPGD
SCHEMBL1348269 0.76 KDM4E (0.32) ADORA3SLC6A3KDM4ELOXL2
SCHEMBL27874802 0.75 LOXL2 (0.33) ADORA3SLC6A3KDM4ESMN1; SMN2LOXL2
SCHEMBL2823118 0.74 LMNA (0.39) ADORA3SLC6A3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15865702 0.74 HCAR2 (0.45) ADORA3SLC6A3KDM4ELOXL2
Hydrochloric Acid SCHEMBL28145192 0.72 HCAR2 (0.44) ADORA3SLC6A3KDM4ELOXL2

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-12036208-B2 Methods for treating neurodegenerative disorders ALZHEON, INC. (US) 2024-07-16 US disclosed
US-12036208-B2 Methods for treating neurodegenerative disorders ALZHEON, INC. (US) 2024-07-16 US disclosed
US-11077095-B2 Methods for treating neurodegenerative disorders ALZHEON, INC. (US) 2021-08-03 US disclosed
EP-2569375-B1 MODIFIED PIGMENTS CABOT CORP (US) 2017-11-22 EP disclosed
US-8771411-B2 Modified pigments CABOT CORPORATION (US) 2014-07-08 US disclosed
WO-2011143533-A2 MODIFIED PIGMENTS CABOT CORPORATION (US) 2011-11-17 WO disclosed
US-20100256092-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2010-10-07 US disclosed
WO-2009140309-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2009-11-19 WO disclosed
US-7361659-B2 Pyrrazolo-pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 2008-04-22 US disclosed
EP-1851225-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-11-07 EP disclosed
US-20060183756-A1 Pyrrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-08-17 US disclosed
WO-2006084634-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-08-17 WO disclosed
CN-1636563-A Thiazole derivatives AVON PROD INC (US) 2005-07-13 CN disclosed
US-20050137239-A1 Thiazole derivatives AVON PRODUCTS, INC. 2005-06-23 US disclosed
EP-1543824-A2 Thiazole derivatives to counter advanced glycation Avon Products, Inc. (US) 2005-06-22 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 (5 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-11077095-B2 Methods for treating neurodegenerative disorders NLN, CLN6, SNCA ADORA3 3038/4885SLC6A3 572/4885NOS1 2640/4885
US-20050137239-A1 Thiazole derivatives TYR, AGER, AOX1 ADORA3 3555/4885SLC6A3 4167/4885NOS1 825/4885
US-12036208-B2 Methods for treating neurodegenerative disorders NLN, CLN6, SNCA ADORA3 3038/4885SLC6A3 572/4885NOS1 2640/4885
US-20060183756-A1 Pyrrazolo-pyrimidine derivatives GRM1, GRM2, GRM3 ADORA3 61/4885SLC6A3 1417/4885NOS1 3387/4885
US-20100256092-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD ADORA3 3501/4885SLC6A3 1290/4885NOS1 4487/4885

“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.