SCHEMBL457462

SCHEMBL457462

CC(C(=O)O)N1C[C@@H](C)O[C@@H](C)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.38
SLC6A9 P48067 1/20 0.37
NPC1 O15118 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL19000154 0.80 SLC6A9 (0.40) ALDH1A1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL10765615 0.79 KDM4E (0.43) ALDH1A1KDM4EHPGDGAACYP2C9
SCHEMBL3901925 0.77 SLC6A9 (0.43) ALDH1A1SLC6A9
SCHEMBL10130709 0.77 PDK1 (0.38) ALDH1A1KDM4EHPGDGAACYP2C9
SCHEMBL104800 0.77 PDK1 (0.38) ALDH1A1KDM4EHPGDGAACYP2C9
SCHEMBL10130710 0.77 PDK1 (0.38) ALDH1A1KDM4EHPGDGAACYP2C9
SCHEMBL1911485 0.77 PDK1 (0.38) ALDH1A1KDM4EHPGDGAACYP2C9
SCHEMBL25851305 0.77 PDK1 (0.38) ALDH1A1KDM4EHPGDGAACYP2C9
SCHEMBL2554176 0.76 SLC6A9 (0.36) KMT2AMEN1MAPTSLC6A9
Hydrochloric Acid SCHEMBL23130557 0.75 SLC6A9 (0.43) ALDH1A1KMT2ASMN1; SMN2MEN1SLC6A9

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
CN-115151541-A Novel compound and use thereof 德彪药业国际股份公司 2022-10-04 CN disclosed
US-8524751-B2 4-oxadiazol-2-YL-indazoles as inhibitors of P13 kinases GlaxoSmithKline Intellecutual Property Development (GB) 2013-09-03 US disclosed
US-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
EP-2406255-A1 4-OXADIAZOL-2 -YL- INDAZOLES AS INHIBITORS OF P13 KINASES Glaxo Group Limited (GB) 2012-01-18 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-20120053166-A1 4-Oxadiazol-2-YL-Indazoles as Inhibitors of P13 Kinases CDK3, CDK13, AKT3 ALDH1A1 3950/4885KDM4E 2185/4885HPGD 3907/4885

“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.