SCHEMBL13301211

SCHEMBL13301211

CC(C)COC(=O)N(CC(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
NR1H3 Q13133 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ELANE P08246 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
RAB9A P51151 1/20 0.30
P2RX4 Q99571 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
SCHEMBL19341327 0.85 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL13321723 0.83 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2GAACA12CA1
SCHEMBL18856257 0.82 TSHR (0.37) TSHRALDH1A1SMN1; SMN2GAAMAPK1
SCHEMBL304755 0.82 CA12 (0.33) CA12CA1CA2CA9
SCHEMBL306435 0.78 CA12 (0.37) TSHRGAACA12CA1CA2
SCHEMBL6895788 0.78 CA12 (0.46) TSHRALDH1A1SMN1; SMN2GAAMAPK1
SCHEMBL306434 0.77 CA12 (0.35) ALDH1A1CA12CA1CA2CA9
SCHEMBL6440136 0.77 TSHR (0.42) TSHRALDH1A1SMN1; SMN2GAAMAPK1
SCHEMBL10112211 0.77 TSHR (0.37) TSHRCA12CA1CA2CA9
SCHEMBL12988859 0.76 TSHR (0.45) TSHRALDH1A1SMN1; SMN2GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344154-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2013-01-01 US disclosed
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MARUYAMA TAKAHISA 2010-06-10 US disclosed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 US disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 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 (2 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-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MTAP, BLVRB, TPMT TSHR 1626/4885ALDH1A1 1218/4885SMN1; SMN2 2059/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM TSHR 1341/4885ALDH1A1 1182/4885SMN1; SMN2 2547/4885

“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.