SCHEMBL4087888

SCHEMBL4087888

[2H]C([2H])(O)[C@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ OPRD1 P41143 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ PDE8B O95263 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ ATM Q13315 2/20 0.41
▸ TSHR P16473 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ FPR3 P25089 1/20 0.40
▸ FPR2 P25090 1/20 0.40

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
SCHEMBL30344858 0.90 HSD17B10 (0.40) HSD17B10SMN1; SMN2ALDH1A1ATM
SCHEMBL133363 0.87 L3MBTL1 (0.58) HSD17B10SMN1; SMN2OPRD1ALDH1A1L3MBTL1
SCHEMBL47049 0.87 L3MBTL1 (0.58) HSD17B10SMN1; SMN2OPRD1ALDH1A1L3MBTL1
SCHEMBL135177 0.87 L3MBTL1 (0.58) HSD17B10SMN1; SMN2OPRD1ALDH1A1L3MBTL1
SCHEMBL4093876 0.85 HSD17B10 (0.48) HSD17B10SMN1; SMN2OPRD1ALDH1A1L3MBTL1
SCHEMBL639097 0.84 ATM (0.49) HSD17B10SMN1; SMN2OPRD1ALDH1A1L3MBTL1
SCHEMBL3420227 0.84 ATM (0.49) HSD17B10SMN1; SMN2OPRD1ALDH1A1L3MBTL1
SCHEMBL115698 0.84 ATM (0.49) HSD17B10SMN1; SMN2OPRD1ALDH1A1L3MBTL1
SCHEMBL3576321 0.84 HSD17B10 (0.49) HSD17B10SMN1; SMN2OPRD1ALDH1A1L3MBTL1
SCHEMBL1467517 0.84 HSD17B10 (0.49) HSD17B10SMN1; SMN2OPRD1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203763-A1 SUBSTITUTED BENZHYDRYLETHERS AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-13 — — US disclosed
US-20090203763-A1 SUBSTITUTED BENZHYDRYLETHERS AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-13 — — 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-20090203763-A1 SUBSTITUTED BENZHYDRYLETHERS UGT2B7, CYP3A7, CYP3A43 HSD17B10 159/4885SMN1; SMN2 1769/4885OPRD1 1551/4885

“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.

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