SCHEMBL12604366

SCHEMBL12604366

CC(=O)NOC(=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
CRBN Q96SW2 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CA2 P00918 1/20 0.32
PTGS1 P23219 1/20 0.32
MMP12 P39900 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NFKB1 P19838 1/20 0.30
ELANE P08246 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL28073542 0.84 KDM4E (0.38) SMN1; SMN2CRBNTSHRKDM4ECA2
SCHEMBL542298 0.82 ALDH1A1 (0.36) SMN1; SMN2CRBNTSHRKDM4ECA2
SCHEMBL27975998 0.79 CA14 (0.34) SMN1; SMN2CRBNTSHRCA2NFKB1
SCHEMBL28073543 0.78 KDM4E (0.33) SMN1; SMN2KDM4ECA2PTGS1MMP12
SCHEMBL19821879 0.77 ALDH1A1 (0.33) KDM4ECA2ALDH1A1CA14
SCHEMBL15610529 0.76
SCHEMBL18724483 0.73 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1
SCHEMBL28073408 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL27932093 0.73 TSHR (0.48) TSHRALDH1A1
SCHEMBL6253180 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108047268-A A kind of miscellaneous two ring of -5- alkyl [3.3.3] the hendecane class compound of 1- azepines -5- germanium, synthetic method and application 中国科学技术大学 2018-05-18 CN disclosed
CN-105693541-B A kind of synthetic method of ethyldopa 湖南湘易康制药有限公司 2017-12-22 CN disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 US disclosed
CN-1228337-C Carbamic acid derivs. and their use as metabotropic glutamate receptor ligands HOFFMANN LA ROCHE (CH) 2005-11-23 CN disclosed
CN-1347406-A Carbamic acid derivs. and their use as metabotropic glutamate receptor ligands HOFFMANN LA ROCHE (CH) 2002-05-01 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 (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-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP SMN1; SMN2 3286/4885CRBN 1687/4885TSHR 4691/4885

“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.