SCHEMBL5158436

SCHEMBL5158436

CC(C)OC(=O)CC(=O)c1cocn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.43
PIK3CD O00329 1/20 0.38
TSHR P16473 4/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 2/20 0.34
NTRK1 P04629 1/20 0.34
PTGS2 P35354 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
F2R P25116 1/20 0.33
RECQL P46063 1/20 0.33
ALOX15 P16050 1/20 0.32

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
SCHEMBL5163521 0.79 MGAM (0.44) ACACBHSD17B10KDM4EMAPTALDH1A1
SCHEMBL5162046 0.78 CCNB2 (0.36) ACACBPIK3CDKDM4EL3MBTL1ALDH1A1
SCHEMBL19438494 0.76 PIK3CD (0.37) ACACBPIK3CDMAPTNTRK1F2R
SCHEMBL5160047 0.73 PIK3CD (0.35) ACACBPIK3CDNTRK1SMN1; SMN2F2R
SCHEMBL5163302 0.72 ACACB (0.37) ACACBPIK3CDHSD17B10KDM4EALDH1A1
SCHEMBL2632662 0.72
SCHEMBL5163590 0.72 SMN1; SMN2 (0.50) ACACBTSHRKDM4EMAPTL3MBTL1
SCHEMBL5164210 0.72 TSHR (0.36) TSHRHSD17B10KDM4EMAPTL3MBTL1
SCHEMBL20797220 0.71 PIK3CD (0.36) ACACBPIK3CDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL5158427 0.71 ACACB (0.36) ACACBPIK3CDTSHRKDM4EL3MBTL1

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-8293899-B2 Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates LANXESS DEUTSCHLAND GMBH (DE) 2012-10-23 US disclosed
EP-1340746-B1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives SALTIGO GMBH (DE) 2007-02-28 EP disclosed
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 EP 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-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives GRHPR, HPD, HAAO ACACB 76/4885PIK3CD 765/4885TSHR 4474/4885

“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.