SCHEMBL1613854

SCHEMBL1613854

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HTT P42858 3/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NOD1 Q9Y239 2/20 0.41
ALDH3A1 P30838 2/20 0.41
POLB P06746 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
KDM4E B2RXH2 2/20 0.40
UBE2N P61088 1/20 0.40
TSHR P16473 1/20 0.39
PKM P14618 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
SCHEMBL11604607 0.79 ALDH1A1 (0.76) ALDH1A1HTTLMNAL3MBTL1NOD1
SCHEMBL5270178 0.76 L3MBTL1 (0.49) ALDH1A1HTTHPGDHSD17B10L3MBTL1
SCHEMBL6596172 0.76 LMNA (0.56) ALDH1A1HTTLMNAL3MBTL1NOD1
SCHEMBL5271083 0.76 ALDH1A1 (0.50) ALDH1A1HTTHPGDHSD17B10L3MBTL1
SCHEMBL6596170 0.74 LMNA (0.57) ALDH1A1HTTLMNAL3MBTL1NOD1
SCHEMBL10040086 0.73 KDM4E (0.36) ALDH1A1HTTHPGDHSD17B10MEN1
SCHEMBL12137517 0.73 NR1H2 (0.56) ALDH1A1HTTHSD17B10LMNAL3MBTL1
SCHEMBL28289511 0.71 ALDH1A1 (0.67) ALDH1A1HTTLMNAL3MBTL1MEN1
SCHEMBL1613686 0.70 ALDH1A1 (0.44) ALDH1A1HTTHPGDLMNAL3MBTL1
SCHEMBL14005234 0.69 RAPGEF4 (0.56) ALDH1A1HTTHPGDHSD17B10L3MBTL1

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 1373/4885HTT 4095/4885HPGD 989/4885

“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.