SCHEMBL443032

SCHEMBL443032

CC(C)(C)c1nnc(C2CCC(C(=O)O)CC2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.39
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
EPHX2 P34913 2/20 0.33
ADCY1 Q08828 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
S1PR4 O95977 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
SCHEMBL408397 1.00 PDK2 (0.39) PDK2TNKSPARP1PARP2MEN1
SCHEMBL12783412 0.85 PDK2 (0.38) PDK2TNKSPARP1PARP2MEN1
SCHEMBL407351 0.84 PDK2 (0.37) PDK2TNKSPARP1PARP2MEN1
SCHEMBL441292 0.84 PDK2 (0.37) PDK2TNKSPARP1PARP2MEN1
SCHEMBL439761 0.83 NPC1 (0.42) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL408394 0.83 NPC1 (0.42) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL517164 0.81 TNKS (0.44) PDK2TNKSPARP1PARP2EPHX2
SCHEMBL517165 0.81 TNKS (0.44) PDK2TNKSPARP1PARP2EPHX2
SCHEMBL408297 0.79 CCR5 (0.40) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL441460 0.79 CCR5 (0.40) MEN1KMT2AMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 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 (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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT PDK2 263/4885TNKS 4718/4885PARP1 4556/4885

“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.