SCHEMBL1982254

SCHEMBL1982254

Cc1ccc(S(=O)(=O)c2[c]ccc(C)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
RAPGEF4 Q8WZA2 1/20 0.47
HTT P42858 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
CA2 P00918 4/20 0.41
CA1 P00915 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TLR9 Q9NR96 1/20 0.39

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
SCHEMBL8058723 0.87 GAA (0.57) GAARAPGEF4HTTTDP1L3MBTL1
SCHEMBL7528632 0.84 GAA (0.48) GAARAPGEF4HTTTDP1L3MBTL1
SCHEMBL8046870 0.82 GAA (0.50) GAARAPGEF4HTTTDP1L3MBTL1
SCHEMBL7825028 0.82 GAA (0.46) GAARAPGEF4HTTTDP1L3MBTL1
SCHEMBL310695 0.78 GAA (0.54) GAARAPGEF4HTTTDP1L3MBTL1
SCHEMBL2168627 0.76 CA1 (0.34) GAAL3MBTL1KMT2AMAPTCA2
SCHEMBL2168882 0.75 CA2 (0.40) KMT2AMEN1ALDH1A1MAPTCA2
SCHEMBL1374635 0.75 SNCA (0.35) GAA
SCHEMBL8061637 0.73 KMT2A (0.42) GAARAPGEF4HTTTDP1KMT2A
SCHEMBL10067072 0.72 GAA (1.00) GAARAPGEF4HTTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 US disclosed
WO-2011075517-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed
WO-2011075560-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed
US-6916949-B2 Methods of chemical systhesis of phenolic nitrogen mustard prodrugs CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2005-07-12 US disclosed
US-4470997-A Esters IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-09-11 US disclosed
US-4423070-A DI- AND TRIESTERS OF N-(ACYLAMINOALKYL)-DIHYDROXYPHENYLETHANOLAMINES, ANTIINFLAMMATORY IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-12-27 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 (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-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK GAA 1449/4885RAPGEF4 2748/4885HTT 4827/4885

“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.