SCHEMBL676632

SCHEMBL676632

CC(C)(C)N(C(=O)O)[C@H](CO)Cc1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.46
RIPK1 Q13546 1/20 0.43
TAS2R14 Q9NYV8 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
PPARG P37231 4/20 0.41
PPARA Q07869 3/20 0.41
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
NR4A2 P43354 1/20 0.39
VNN1 O95497 1/20 0.39
MAOB P27338 1/20 0.38
PIN1 Q13526 1/20 0.38

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
SCHEMBL14860346 0.86 MAOB (0.33) RIPK1TAS2R14MAOB
SCHEMBL16673886 0.85 HTR2A (0.49) MEN1KMT2APPARGPPARAOPRM1
SCHEMBL4902032 0.85 HTR2A (0.49) MEN1KMT2APPARGPPARAOPRM1
SCHEMBL16673885 0.85 HTR2A (0.49) MEN1KMT2APPARGPPARAOPRM1
SCHEMBL5066181 0.84 ALPI (0.43) RIPK1MEN1KMT2AOPRM1OPRD1
SCHEMBL18344466 0.84 ALPI (0.43) RIPK1MEN1KMT2AOPRM1OPRD1
SCHEMBL4064873 0.84 ALPI (0.43) RIPK1MEN1KMT2AOPRM1OPRD1
SCHEMBL14860492 0.84 CTSB (0.38) MEN1KMT2ACTSSOPRM1OPRD1
SCHEMBL14860505 0.84 PTGES (0.44) RIPK1MEN1KMT2ACTSSCTSK
SCHEMBL674473 0.81 KMT2A (0.46) SLC1A1RIPK1TAS2R14MEN1KMT2A

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-8895571-B2 Isoindolinone and pyrrolopyridinone derivatives as Akt inhibitors INCYTE CORPORATION (US) 2014-11-25 US disclosed
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 US disclosed
US-20110160255-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-30 US disclosed
US-20110160256-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-30 US disclosed
US-20110129455-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-02 US disclosed
US-20110098221-A1 INHIBITORS OF Akt ACTIVITY GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
US-20110092423-A1 INHIBITORS OF Akt ACTIVITY GlaxoSmithKline, LLC 2011-04-21 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 (6 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-20110160256-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, PIK3CA SLC1A1 3594/4885RIPK1 211/4885TAS2R14 4741/4885
US-20110092423-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, PIK3CA SLC1A1 3594/4885RIPK1 211/4885TAS2R14 4741/4885
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS MTOR, PDPK1, PIK3CA SLC1A1 3019/4885RIPK1 185/4885TAS2R14 4557/4885
US-20110160255-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, PIK3CA SLC1A1 3594/4885RIPK1 211/4885TAS2R14 4741/4885
US-20110129455-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, PI4KB SLC1A1 3588/4885RIPK1 191/4885TAS2R14 4684/4885
US-20110098221-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, PIK3CA SLC1A1 3594/4885RIPK1 211/4885TAS2R14 4741/4885

“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.