Pivalate

Pivalate

SCHEMBL9948648

CC(C)(C)C(=O)O.CC(C)(C)C(=O)OCCl

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.39
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 3/20 0.32
ELANE P08246 3/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
KMT2A Q03164 1/20 0.30
RAB9A P51151 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
BTN3A1 O00481 2/20 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
SCHEMBL300 0.93
Formamide SCHEMBL28197249 0.82 PRKCA (0.37) PRKCAPOLBGAANPSR1BTN3A1
SCHEMBL8337490 0.81 TSHR (0.37) TSHRALDH1A1CYP2C19CYP2D6HIF1A
SCHEMBL12987662 0.77 DGAT1 (0.37) PRKCATSHR
Pivalate SCHEMBL11519598 0.76 TSHR (0.47) TSHRALDH1A1CYP2C19CYP2D6HIF1A
Piperidine SCHEMBL6055565 0.76 PRKCA (0.33) PRKCAALDH1A1
SCHEMBL11052842 0.75
SCHEMBL19788104 0.75
SCHEMBL23218023 0.74 CYP4F2 (0.55) PRKCAELANECYP4F2CYP4A11KMT2A
SCHEMBL3910492 0.73 POLB (0.43) PRKCAPOLBGAANPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165286-A1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-06-28 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-20120165286-A1 CYCLIC NUCLEOTIDE ANALOGS NT5C2, NTPCR, PNP PRKCA 383/4885POLB 148/4885GAA 1499/4885

“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.