Sugi Predict

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SCHEMBL2126408

SCHEMBL2126408

CC(C)(C)OC(=O)N1CC2(CCS(=O)(=O)CC2)c2ccc(Br)cc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ NOTUM Q6P988 2/20 0.34
▸ RORC P51449 3/20 0.34
▸ BACE1 P56817 4/20 0.34
▸ XIAP P98170 3/20 0.34
▸ BIRC2 Q13490 3/20 0.34
▸ USP30 Q70CQ3 2/20 0.33
▸ FPR3 P25089 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CCNB3 Q8WWL7 1/20 0.33
▸ GPR119 Q8TDV5 1/20 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
SCHEMBL22479307 0.88 HDAC1 (0.40) KDM1AHDAC1HDAC8HDAC6NOTUM
SCHEMBL2731130 0.85 KDM1A (0.39) KDM1AHDAC1HDAC8HDAC6NOTUM
SCHEMBL22471426 0.85 PIK3CA (0.40) KDM1AHDAC1HDAC8HDAC6NOTUM
SCHEMBL29966436 0.85 PIK3CA (0.40) KDM1AHDAC1HDAC8HDAC6NOTUM
SCHEMBL2123667 0.85 NOTUM (0.40) NOTUMXIAPBIRC2
SCHEMBL1612565 0.83 NOTUM (0.51) NOTUMXIAPBIRC2
SCHEMBL31694028 0.81 NOTUM (0.42) KDM1AHDAC1HDAC8HDAC6NOTUM
SCHEMBL2124036 0.81 PIK3CA (0.42) USP30GPR119
SCHEMBL25169659 0.81 NOTUM (0.44) KDM1AHDAC1HDAC8HDAC6NOTUM
SCHEMBL30213385 0.81 NOTUM (0.44) KDM1AHDAC1HDAC8HDAC6NOTUM

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-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 — — EP disclosed
EP-2445902-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY Amgen, Inc (US) 2012-05-02 — — EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 — — WO 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
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 — — US disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 — — WO disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 — — 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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 KDM1A 1314/4885HDAC1 1757/4885HDAC8 661/4885

“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.