SCHEMBL6900418

SCHEMBL6900418

CCOC(=O)C(C)NC(=O)OCC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
METAP2 P50579 9/20 0.44
METAP1 P53582 6/20 0.44
TSHR P16473 5/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 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
Acetic Acid SCHEMBL27561011 0.95 SMN1; SMN2 (0.47) SMN1; SMN2METAP2METAP1TSHRHTT
SCHEMBL22751568 0.88 METAP2 (0.46) SMN1; SMN2METAP2METAP1HTTLMNA
SCHEMBL11189746 0.88 METAP2 (0.46) SMN1; SMN2METAP2METAP1HTTLMNA
SCHEMBL6899801 0.81 SMN1; SMN2 (0.49) SMN1; SMN2TSHRHTTLMNAALOX15
SCHEMBL13195821 0.81 METAP2 (0.42) SMN1; SMN2METAP2METAP1HTTLMNA
SCHEMBL27749565 0.81 METAP2 (0.43) SMN1; SMN2METAP2METAP1TSHRLMNA
SCHEMBL27749567 0.81 METAP2 (0.43) SMN1; SMN2METAP2METAP1TSHRLMNA
SCHEMBL10087935 0.80 SMN1; SMN2 (0.47) SMN1; SMN2TSHRHTTLMNAALOX15
SCHEMBL18190838 0.80 SMN1; SMN2 (0.50) SMN1; SMN2TSHRHTTLMNAALOX15
SCHEMBL8079436 0.80 SMN1; SMN2 (0.50) SMN1; SMN2TSHRHTTLMNAALOX15

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-9670200-B2 Quaternary ammonium salt prodrugs ALKERMES PHARMA IRELAND LIMITED (IE) 2017-06-06 US disclosed
US-9580417-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2017-02-28 US disclosed
US-20120015866-A1 Prodrugs of Heteraromatic Compounds ALKERMES, INC. (US) 2012-01-19 US disclosed
US-20110178068-A1 Quaternary Ammonium Salt Prodrugs ALKERMES, INC. (US) 2011-07-21 US disclosed
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders ALKERMES, INC. (US) 2011-07-07 US disclosed
CN-1173957-C Substituted piperazones and their therapeutic use L���������鹫˾ 2004-11-03 CN disclosed
CN-1314895-A Substituted piperazinones and therapeutic uses thereof LAFON LABOR (FR) 2001-09-26 CN 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 (3 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-20110178068-A1 Quaternary Ammonium Salt Prodrugs SLC1A5, IDH1, ASS1 SMN1; SMN2 649/4885METAP2 2271/4885METAP1 1478/4885
US-20110166128-A1 Diaryldiazepine Prodrugs for the Treatment of Neurological and Psychological Disorders HTR5A, HTR2C, HTR2B SMN1; SMN2 1836/4885METAP2 3441/4885METAP1 3536/4885
US-20120015866-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 SMN1; SMN2 3792/4885METAP2 2205/4885METAP1 2698/4885

“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.