Sugi Predict

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SCHEMBL674473

SCHEMBL674473

CC(C)(C)N(C(=O)O)[C@@H](Cc1cccc(F)c1)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TAS2R14 Q9NYV8 2/20 0.39
▸ SLC1A1 P43005 2/20 0.39
▸ UBE2N P61088 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GNRHR P30968 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37

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
SCHEMBL14908958 0.89 MEN1 (0.53) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL1529635 0.89 MEN1 (0.53) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL674943 0.88 CTSS (0.40) KMT2AMEN1NPC1RAB9AUBE2N
SCHEMBL1529797 0.84 KMT2A (0.43) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL2104007 0.81 MEN1 (0.46) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL1529640 0.81 KMT2A (0.46) KMT2AMEN1NPC1RAB9AUBE2N
SCHEMBL676632 0.81 SLC1A1 (0.46) KMT2AMEN1TAS2R14SLC1A1PPARG
SCHEMBL14910225 0.79 KMT2A (0.49) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL14910227 0.79 KMT2A (0.49) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL20974302 0.79 MEN1 (0.56) KMT2AMEN1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160255-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 (4 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-20110092423-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, PIK3CA KMT2A 2745/4885MEN1 4048/4885NPC1 4529/4885
US-20110160255-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, PIK3CA KMT2A 2745/4885MEN1 4048/4885NPC1 4529/4885
US-20110129455-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, PI4KB KMT2A 2483/4885MEN1 3625/4885NPC1 4286/4885
US-20110098221-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, PIK3CA KMT2A 2745/4885MEN1 4048/4885NPC1 4529/4885

“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.