SCHEMBL15042390

SCHEMBL15042390

CC(=O)CCN1CC(O)(C(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.34
ALDH1A1 P00352 1/20 0.33
APEX1 P27695 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
SCHEMBL4550240 0.75
SCHEMBL23344402 0.69
SCHEMBL12602739 0.69 PAOX (0.59) PAOXALDH1A1
SCHEMBL15837585 0.69 SMN1; SMN2 (0.45) ALDH1A1
SCHEMBL12635264 0.67 PAOX (0.43) PAOXALDH1A1
SCHEMBL28640747 0.67 PAOX (0.39) PAOXALDH1A1APEX1
SCHEMBL13993887 0.67 PAOX (0.47) PAOXALDH1A1
SCHEMBL13993971 0.66
SCHEMBL11880993 0.66 ALDH1A1 (0.60) PAOXALDH1A1
SCHEMBL22941476 0.66 CYP2D6 (0.48) ALDH1A1

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-8822510-B2 Substituted 3-phenyl-1,2,4-Oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US disclosed
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUBIB COMPANY 2013-06-20 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-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 PAOX 1964/4885ALDH1A1 1493/4885APEX1 2082/4885

“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.