SCHEMBL442977

SCHEMBL442977

CC(C)C1CN(C(=O)OC(C)(C)C)CC1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.44
▸ PDE4B Q07343 2/20 0.41
▸ USP2 O75604 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ RORC P51449 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RECQL P46063 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ DDB1 Q16531 1/20 0.35

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
SCHEMBL1052921 0.85 NR1H2 (0.53) NR1H2PDE4BUSP2SMN1; SMN2RORC
SCHEMBL6065186 0.85 NR1H2 (0.53) NR1H2PDE4BUSP2SMN1; SMN2RORC
SCHEMBL1051376 0.85 NR1H2 (0.53) NR1H2PDE4BUSP2SMN1; SMN2RORC
SCHEMBL25010445 0.82 NR1H2 (0.47) NR1H2USP2SMN1; SMN2RORCHPGD
SCHEMBL408327 0.81 NR1H2 (0.40) NR1H2PDE4BUSP2SMN1; SMN2HPGD
SCHEMBL407294 0.81 KDM4E (0.45) RORCKDM4EGPR119
SCHEMBL30342352 0.80 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2RORC
SCHEMBL10137666 0.80 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2RORC
SCHEMBL25608131 0.80 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2RORC
SCHEMBL24707902 0.80 NR1H2 (0.49) NR1H2PDE4BUSP2SMN1; SMN2RORC

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
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 — — 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT NR1H2 132/4885PDE4B 1423/4885USP2 4053/4885

“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.

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