SCHEMBL1587776

SCHEMBL1587776

C=C1C(=O)OC(C)(Cc2ccccc2)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.42
CTSG P08311 1/20 0.40
PRTN3 P24158 1/20 0.40
PTGS2 P35354 1/20 0.38
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 1/20 0.36
PSMB1 P20618 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BACE1 P56817 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL18805033 0.78 ELANE (0.42) ELANECTSGPRTN3PTGS2GAA
SCHEMBL29059754 0.73 MAOA (0.43) ELANECTSGPRTN3ALDH1A1MAOA
SCHEMBL4701574 0.70 MAOA (0.33) ELANEGAAL3MBTL1KMT2AMAOA
SCHEMBL14159710 0.70 TSHR (0.43) ELANECTSGPRTN3PTGS2GAA
SCHEMBL1680374 0.70 ELANE (0.40) ELANECTSGPRTN3ALDH1A1MAOA
SCHEMBL16174713 0.69 ELANE (0.44) ELANECTSGPRTN3PTGS2GAA
SCHEMBL8704294 0.68 MAOA (0.43) ELANEGAAMAOAMAOB
SCHEMBL16174913 0.68 ELANE (0.51) ELANECTSGPRTN3PTGS2GAA
SCHEMBL6810670 0.68 ELANE (0.43) ELANECTSGPRTN3GAAL3MBTL1
SCHEMBL16174950 0.68 ELANE (0.47) ELANECTSGPRTN3L3MBTL1KMT2A

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-8383642-B2 Spiropiperidine compounds ELI LILLY AND COMPANY (US) 2013-02-26 US disclosed
US-20110092531-A1 Novel Spiropiperidine Compounds ELI LILLY AND COMPANY (US) 2011-04-21 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-20110092531-A1 Novel Spiropiperidine Compounds REN, SLC5A1, SLC5A2 ELANE 3939/4885CTSG 3715/4885PRTN3 4150/4885

“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.