SCHEMBL1613686

SCHEMBL1613686

C#CC(C)(O)c1nc(C)cn1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
HTT P42858 3/20 0.36
NOD1 Q9Y239 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
ALDH3A1 P30838 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
MAPT P10636 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.35
CXCL8 P10145 1/20 0.35
GAA P10253 1/20 0.35
NOD2 Q9HC29 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL11604607 0.73 ALDH1A1 (0.76) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL1613458 0.71 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL1613854 0.70 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL6596172 0.70 LMNA (0.56) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL6596170 0.68 LMNA (0.57) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL12137517 0.67 NR1H2 (0.56) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL28289511 0.65 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL28289471 0.63 ALDH1A1 (0.54) ALDH1A1LMNAL3MBTL1HTTNOD1
SCHEMBL28290914 0.62 SMN1; SMN2 (0.61) ALDH1A1MEN1KMT2ALMNAL3MBTL1
SCHEMBL5306872 0.62 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 EP disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
US-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2011-04-14 US disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 WO disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 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-20110086834-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS NFKBIA, MAP3K1, MAP3K2 ALDH1A1 1373/4885MEN1 4123/4885KMT2A 2087/4885

“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.