SCHEMBL17023251

SCHEMBL17023251

CCS(=O)(=O)NCCOS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.48
KDM4E B2RXH2 3/20 0.48
USP2 O75604 2/20 0.48
LMNA P02545 1/20 0.48
MMP9 P14780 1/20 0.48
ALOX15 P16050 1/20 0.48
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA1 P00915 3/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CNR2 P34972 1/20 0.32
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
CA2 P00918 2/20 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
SCHEMBL3706930 0.81 ALDH1A1 (0.52) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL13103768 0.76 ALDH1A1 (0.47) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL12783284 0.76 ALDH1A1 (0.37) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL13661632 0.74 TSHR (0.50) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL13850424 0.74 GAA (0.39) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL9665524 0.74 CA1 (0.45) ALDH1A1TSHRKDM4ELMNAMEN1
SCHEMBL13030889 0.73
SCHEMBL11398723 0.72 MEN1 (0.50) ALDH1A1TSHRKDM4EUSP2LMNA
SCHEMBL2417424 0.71
Ethane Dimethane Sulfonate SCHEMBL1336145 0.71 USP2 (0.75) ALDH1A1TSHRKDM4EUSP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3878451-A1 PHARMACEUTICAL COMPOSITION COMPRISING A JAK-INHIBITING 4,6-SUBSTITUTED-PYRAZOLO[1,5-A]PYRAZINE COMPOUND Array Biopharma Inc. (US) 2021-09-15 EP disclosed
US-11028093-B2 4,6-substituted-pyrazolo[1,5-a]pyrazines as janus kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-06-08 US disclosed
EP-3227297-B1 4,6-SUBSTITUTED-PYRAZOLO[1,5-A]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2021-01-20 EP disclosed
US-20200291039-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-09-17 US disclosed
US-10730880-B2 4,6-substituted-pyrazolo[1,5-a]pyrazines as Janus kinase inhibitors ARRAY BIOPHARMA INC. (US) 2020-08-04 US disclosed
EP-3110793-B1 SULFONAMIDE AND SULFINAMIDE PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES ALKERMES PHARMA IRELAND LTD (IE) 2019-08-21 EP disclosed
US-20190177328-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2019-06-13 US disclosed
US-10301256-B2 Sulfonamide and sulfinamide prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2019-05-28 US disclosed
US-10189845-B2 4,6-substituted-pyrazolo[1,5-a]pyrazines as janus kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-29 US disclosed
US-20170362240-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2017-12-21 US disclosed
EP-3227297-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS Array Biopharma, Inc. (US) 2017-10-11 EP disclosed
US-20170129851-A1 SULFONAMIDE AND SULFINAMIDE PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-05-11 US disclosed
US-9604922-B2 Sulfonamide and sulfinamide prodrugs of fumarates and their use in treating various diseases ALKERMES PHARMA IRELAND LIMITED (IE) 2017-03-28 US disclosed
EP-3110793-A1 SULFONAMIDE AND SULFINAMIDE PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES Alkermes Pharma Ireland Limited (IE) 2017-01-04 EP disclosed
WO-2016090285-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-06-09 WO disclosed
US-20150239829-A1 SULFONAMIDE AND SULFINAMIDE PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2015-08-27 US disclosed
WO-2015127450-A1 SULFONAMIDE AND SULFINAMIDE PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES ALKERMES PHARMA IRELAND LIMITED (IE) 2015-08-27 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 (9 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-10301256-B2 Sulfonamide and sulfinamide prodrugs of fumarates and their use in treating various diseases SULT2A1, FH, STS ALDH1A1 1312/4885TSHR 3365/4885KDM4E 1116/4885
US-20200291039-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 1526/4885TSHR 1038/4885KDM4E 726/4885
US-10730880-B2 4,6-substituted-pyrazolo[1,5-a]pyrazines as Janus kinase inhibitors JAK1, JAK3, JAK2 ALDH1A1 1526/4885TSHR 1038/4885KDM4E 726/4885
US-20190177328-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 1526/4885TSHR 1038/4885KDM4E 726/4885
US-20170362240-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 1526/4885TSHR 1038/4885KDM4E 726/4885
US-20170129851-A1 SULFONAMIDE AND SULFINAMIDE PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES SULT2A1, FH, STS ALDH1A1 1312/4885TSHR 3365/4885KDM4E 1116/4885
US-10189845-B2 4,6-substituted-pyrazolo[1,5-a]pyrazines as janus kinase inhibitors JAK1, JAK3, JAK2 ALDH1A1 1526/4885TSHR 1038/4885KDM4E 726/4885
US-11028093-B2 4,6-substituted-pyrazolo[1,5-a]pyrazines as janus kinase inhibitors JAK1, JAK3, JAK2 ALDH1A1 1526/4885TSHR 1038/4885KDM4E 726/4885
US-20150239829-A1 SULFONAMIDE AND SULFINAMIDE PRODRUGS OF FUMARATES AND THEIR USE IN TREATING VARIOUS DISEASES SULT2A1, FH, STS ALDH1A1 1312/4885TSHR 3365/4885KDM4E 1116/4885

“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.