SCHEMBL19768827

SCHEMBL19768827

CC(F)OC1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.46
▸ USP2 O75604 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HPGD P15428 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ USP30 Q70CQ3 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ NAMPT P43490 1/20 0.36

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
SCHEMBL15885453 0.88 NR1H2 (0.47) NR1H2USP2SMN1; SMN2HPGDRORC
SCHEMBL19852541 0.88 USP30 (0.45) USP2SMN1; SMN2HPGDPRMT5WDR77
SCHEMBL12448246 0.86 NR1H2 (0.49) NR1H2USP2SMN1; SMN2HPGDPRMT5
SCHEMBL28906174 0.85 NR1H2 (0.45) NR1H2USP2SMN1; SMN2HPGDRORC
SCHEMBL19768828 0.84 HPGD (0.50) USP2SMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL21590921 0.84 NR1H2 (0.44) NR1H2USP2SMN1; SMN2HPGDRORC
SCHEMBL608195 0.82 NR1H2 (0.45) NR1H2USP2SMN1; SMN2HPGDRORC
SCHEMBL71275 0.81 NR1H2 (0.51) NR1H2USP2SMN1; SMN2HPGDPRMT5
SCHEMBL16419556 0.81 NR1H2 (0.48) NR1H2USP2SMN1; SMN2HPGDPRMT5
SCHEMBL21063482 0.80 NR1H2 (0.43) NR1H2USP2SMN1; SMN2HPGDPRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180016227-A1 PROCESS FOR THE SYNTHESIS OF DIFLUOROMETHYL ETHER-BASED COMPOUNDS TRILLIUM THERAPEUTICS INC. (CA) 2018-01-18 — — 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-20180016227-A1 PROCESS FOR THE SYNTHESIS OF DIFLUOROMETHYL ETHER-BASED COMPOUNDS CYP2F1, CYP2E1, PAH NR1H2 98/4885USP2 4141/4885SMN1; SMN2 1018/4885

“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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