Pivalate

Pivalate

SCHEMBL9952899

CC(C)(C)C(=O)O.FC(F)(F)c1cccc([Zn])c1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
SRD5A2 P31213 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAOB P27338 1/20 0.41
POLB P06746 1/20 0.41
KCNK3 O14649 1/20 0.41
MGLL Q99685 1/20 0.41

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
Pivalate SCHEMBL9952824 0.81 ACP3 (0.53) CES2MEN1KMT2AMAPTMAOB
Hydrochloric Acid SCHEMBL1453353 0.81 TSHR (0.52) CES2MAPTNPSR1ALDH1A1MAOB
Bromide SCHEMBL1504916 0.81 TSHR (0.52) CES2MAPTNPSR1ALDH1A1MGLL
SCHEMBL1626915 0.77 APP (0.55) CES2MEN1KMT2AMAPTSRD5A2
SCHEMBL14815251 0.75 CES2 (0.52) CES2MEN1KMT2AMAPTSRD5A2
SCHEMBL9584756 0.75 CES2 (0.52) CES2MEN1KMT2AMAPTSRD5A2
SCHEMBL382497 0.74 CYP1A2 (0.59) CES2MEN1KMT2AMAPTSRD5A2
SCHEMBL30605754 0.74 CYP1A2 (0.59) CES2MEN1KMT2AMAPTSRD5A2
SCHEMBL715409 0.74 CYP1A2 (0.59) CES2MEN1KMT2AMAPTSRD5A2
SCHEMBL389210 0.74 CES2 (0.50) CES2MEN1KMT2AMAPTSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655382-B1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME UNIV MUENCHEN LUDWIG MAXIMILIANS (DE) 2022-09-28 EP disclosed
US-9273070-B2 Organozinc complexes and processes for making and using the same KNOCHEL PAUL (DE) 2016-03-01 US disclosed
US-20140031545-A1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME LUDWIG-MAXIMILIAN-UNIVERSITAT MUNCHEN (DE) 2014-01-30 US disclosed
EP-2655382-A1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME Ludwig-Maximilians-Universität München (DE) 2013-10-30 EP disclosed
WO-2012085168-A1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2012-06-28 WO 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-20140031545-A1 ORGANOZINC COMPLEXES AND PROCESSES FOR MAKING AND USING THE SAME ODC1, AOC1, ADH1C CES2 2671/4885MEN1 673/4885KMT2A 167/4885

“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.