SCHEMBL5458599

SCHEMBL5458599

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC1A1 P43005 1/20 0.32
TET2 Q6N021 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
ECE1 P42892 1/20 0.31

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
SCHEMBL14992884 1.00 TSHR (0.40) TSHRALDH1A1HSD17B10MGAMGAA
SCHEMBL28243 0.88 TSHR (0.50) TSHRALDH1A1HSD17B10MGAMGAA
SCHEMBL5865632 0.80 SLC22A6 (0.50) ALDH1A1HSD17B10L3MBTL1SLC22A6KDM4E
SCHEMBL854003 0.79
SCHEMBL12787282 0.79 MGAM (0.50) TSHRALDH1A1HSD17B10MGAMGAA
SCHEMBL2413537 0.79 SLC22A6 (0.62) TSHRHSD17B10MGAMGAASI
SCHEMBL7734688 0.79
SCHEMBL15976653 0.79 MGAM (0.50) TSHRALDH1A1HSD17B10MGAMGAA
SCHEMBL1554944 0.79
SCHEMBL13908456 0.79 MGAM (0.50) TSHRALDH1A1HSD17B10MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104066846-B The method that chiral statin side chain intermediate is prepared using candida antarctica lipase B 迈兰实验室有限公司 2018-09-25 CN disclosed
CN-104066846-A Process for producing chiral statin side chain intermediates employing candida|antarctica lipase B MYLAN LAB LTD 2014-09-24 CN disclosed
US-20070043010-A1 Quinazoline derivatives ASTRAZENECA UK LIMITED (GB) 2007-02-22 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-20070043010-A1 Quinazoline derivatives ERBB2, ABL1, EGFR TSHR 1244/4885ALDH1A1 2808/4885HSD17B10 4753/4885

“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.