SCHEMBL4602235

SCHEMBL4602235

CCCOS(=O)(=O)c1ccc(C)c(SC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
CA2 P00918 5/20 0.36
CA1 P00915 5/20 0.34
CA12 O43570 4/20 0.34
CA9 Q16790 3/20 0.34
CA7 P43166 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HTT P42858 1/20 0.34
SLC6A4 P31645 1/20 0.33
LMNA P02545 4/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CCR2 P41597 2/20 0.32
GAA P10253 2/20 0.31
TSHR P16473 2/20 0.31
CA13 Q8N1Q1 1/20 0.31
MEN1 O00255 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
SCHEMBL6506817 0.78 MAPT (0.40) CA2ALDH1A1HTTNPC1RAB9A
SCHEMBL2491524 0.78 CA2 (0.40) CA2CA1CA12CA9CA7
SCHEMBL1707826 0.77 LMNA (0.39) CA2CA1CA12CA9CA7
SCHEMBL28222876 0.76 CA2 (0.36) CA2CA1CA12CA9CA7
SCHEMBL29024319 0.75 CA2 (0.36) CA2CA1CA12CA9CA7
SCHEMBL16637746 0.74 POLB (0.33) CA2CA1CA9ALDH1A1LMNA
SCHEMBL29068583 0.74 PTGS2 (0.40) CA2CA1CA12CA9ALDH1A1
SCHEMBL156710 0.73 GAA (0.46) CA2CA1CA12CA9CA7
SCHEMBL14228194 0.73 ALDH1A1 (0.42) CA2CA1CA12CA9CA7
SCHEMBL5663959 0.73 CA2 (0.50) CA2CA1CA12CA9CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. 2023-06-01 US disclosed
EP-4121431-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST Bugworks Research, Inc. (US) 2023-01-25 EP disclosed
WO-2022149167-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST BUGWORKS RESEARCH INDIA PVT LTD (IN) 2022-07-14 WO disclosed
CN-106715409-B Complex preparation for preventing or treating metabolic diseases comprising 3- (4- (benzyloxy) phenyl) -4-hexynoic acid derivative and other active ingredients 现代药品株式会社 2020-09-11 CN disclosed
CN-111423408-A Compound preparation for preventing or treating metabolic diseases 现代药品株式会社 2020-07-17 CN disclosed
EP-2675774-A1 PRODUCTION METHOD OF OPTICALLY ACTIVE DIHYDROBENZOFURAN DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2013-12-25 EP disclosed
WO-2012111849-A1 PRODUCTION METHOD OF OPTICALLY ACTIVE DIHYDROBENZOFURAN DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 WO disclosed
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 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 (1 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-20230167119-A1 DIAMINOPYRAZOLO[1,5-A]PYRIMIDINE-6-CARBONITRILE COMPOUNDS AS ADENOSINE 2A RECEPTOR AND ADENOSINE 2B RECEPTOR ANTAGONIST ADORA2A, ADORA2B, ADORA1 TAS1R3 1307/4885TAS1R1 1079/4885CA2 1618/4885

“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.