SCHEMBL1809485

SCHEMBL1809485

CCOC(=O)c1nc(S)sc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.55
ALDH1A1 P00352 7/20 0.50
CYP1A2 P05177 3/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 4/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
FHIT P49789 1/20 0.46
HPGD P15428 5/20 0.46
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPK10 P53779 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL18558816 0.84 ALDH1A1 (0.66) GAAALDH1A1CYP1A2KMT2AMAPT
SCHEMBL11872430 0.83 ALDH1A1 (0.56) GAAALDH1A1CYP1A2KMT2AMEN1
SCHEMBL2616832 0.81 GAA (0.58) GAAALDH1A1CYP1A2KMT2AMEN1
SCHEMBL4296900 0.80 ALDH1A1 (0.45) GAAALDH1A1CYP1A2KMT2AMEN1
SCHEMBL11869242 0.80 ALDH1A1 (0.45) GAAALDH1A1CYP1A2KMT2AMEN1
SCHEMBL299269 0.80 GAA (0.56) GAAALDH1A1CYP1A2KMT2AMEN1
SCHEMBL2826874 0.79 GAA (0.55) GAAALDH1A1CYP1A2KMT2AMEN1
SCHEMBL289441 0.79 ALDH1A1 (0.73) GAAALDH1A1CYP1A2KMT2AMEN1
SCHEMBL6505364 0.79 GAA (0.55) GAAALDH1A1CYP1A2KMT2AMEN1
SCHEMBL12410905 0.79 GAA (0.55) GAAALDH1A1CYP1A2KMT2AMEN1

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-11724992-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2023-08-15 US disclosed
US-11724992-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2023-08-15 US disclosed
US-20230062815-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-02 US disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
US-11203579-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2021-12-21 US disclosed
US-20210171477-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2021-06-10 US disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
US-10654816-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-19 US disclosed
US-20200087270-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2020-03-19 US disclosed
EP-1801108-B9 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2013-11-20 EP disclosed
EP-1801108-B1 MORPHOLINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATIONS MITSUBISHI TANABE PHARMA CORP (JP) 2012-11-14 EP disclosed
US-7935700-B2 Morpholine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-05-03 US disclosed
US-20070265257-A1 Morpholine Compound MITSUBISHI PHARMA CORPORATION (JP) 2007-11-15 US disclosed
EP-1801108-A1 MORPHOLINE COMPOUND Mitsubishi Pharma Corporation (JP) 2007-06-27 EP disclosed
US-3931060-A POLYURETHANE FOAM FREE FROM INTERNAL DISCOLORATION BAYER AKTIENGESELLSCHAFT (DT) 1976-01-06 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 (8 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-20230062815-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 GAA 1444/4885ALDH1A1 1972/4885CYP1A2 1790/4885
US-11203579-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP3, NLRP1, IAPP GAA 1024/4885ALDH1A1 3482/4885CYP1A2 1891/4885
US-20200087270-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 GAA 1444/4885ALDH1A1 1972/4885CYP1A2 1790/4885
US-20210171477-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP3, NLRP1, IAPP GAA 1024/4885ALDH1A1 3482/4885CYP1A2 1891/4885
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 GAA 1470/4885ALDH1A1 1999/4885CYP1A2 1765/4885
US-10654816-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 GAA 1444/4885ALDH1A1 1972/4885CYP1A2 1790/4885
US-11724992-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 GAA 1444/4885ALDH1A1 1972/4885CYP1A2 1790/4885
US-20070265257-A1 Morpholine Compound CCR3, CCR1, CCR4 GAA 3798/4885ALDH1A1 2661/4885CYP1A2 533/4885

“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.