SCHEMBL1613196

SCHEMBL1613196

CC(=O)N1CC2(CS(=O)(=O)C2)c2ccc(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.47
HSD17B3 P37058 4/20 0.41
AMPD2 Q01433 1/20 0.34
CASP2 P42575 1/20 0.32
XIAP P98170 4/20 0.32
BIRC2 Q13490 4/20 0.32

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
SCHEMBL1612565 0.87 NOTUM (0.51) NOTUMHSD17B3AMPD2XIAPBIRC2
SCHEMBL17436116 0.86 NOTUM (0.63) NOTUMHSD17B3CASP2XIAPBIRC2
SCHEMBL17436040 0.83 NOTUM (0.65) NOTUMHSD17B3CASP2XIAPBIRC2
SCHEMBL1612985 0.82 NOTUM (0.48) NOTUMHSD17B3CASP2XIAPBIRC2
SCHEMBL30898712 0.80 NOTUM (0.52) NOTUMHSD17B3XIAPBIRC2
SCHEMBL1614374 0.80 NOTUM (0.52) NOTUMHSD17B3CASP2XIAPBIRC2
SCHEMBL2125253 0.80 NOTUM (0.52) NOTUMHSD17B3XIAPBIRC2
SCHEMBL17446878 0.79 NOTUM (0.62) NOTUMHSD17B3AMPD2XIAPBIRC2
SCHEMBL2123667 0.77 NOTUM (0.40) NOTUMHSD17B3CASP2XIAPBIRC2
SCHEMBL2126046 0.77 PIK3CA (0.44) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
EP-2445902-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
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
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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 (2 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 NOTUM 2260/4885HSD17B3 783/4885AMPD2 1409/4885
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 NOTUM 4008/4885HSD17B3 2814/4885AMPD2 1008/4885

“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.