SCHEMBL2340413

SCHEMBL2340413

CC(C)CC(C)C(=O)CC(=O)CO

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.38
ALDH1A1 P00352 2/20 0.33
SLC7A5 Q01650 1/20 0.33
KISS1R Q969F8 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
CPA1 P15085 1/20 0.31
MME P08473 3/20 0.31
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL8864311 0.82 ALDH1A1 (0.39) RNPEPALDH1A1SLC7A5MEN1LMNA
SCHEMBL2340644 0.79 HSD17B10 (0.33) CPA1MMEMMP1MMP3
SCHEMBL2239501 0.78 CA1 (0.41) RNPEPALDH1A1SLC7A5KISS1R
SCHEMBL8705036 0.73 RNPEP (0.38) RNPEPALDH1A1SLC7A5MEN1LMNA
SCHEMBL12570564 0.70 RNPEP (0.39) RNPEPALDH1A1SLC7A5
SCHEMBL6039560 0.69 SLC7A5 (0.42) RNPEPALDH1A1SLC7A5
SCHEMBL27617569 0.68 GAA (0.54) ALDH1A1LMNAKMT2A
SCHEMBL6725243 0.67
SCHEMBL17949830 0.67 CES2 (0.39) RNPEPALDH1A1SLC7A5
SCHEMBL782702 0.66 RNPEP (0.43) RNPEPALDH1A1SLC7A5

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-2534144-B1 Preparation process of the sodium salt of Esomeprazole ESTEVE QUÍMICA S A (ES) 2014-09-03 EP disclosed
US-8680284-B2 Preparation process of the sodium salt of esomeprazole ESTEVE QUIMICA, S.A. (ES) 2014-03-25 US disclosed
EP-2534144-A1 PREPARATION PROCESS OF THE SODIUM SALT OF ESOMEPRAZOLE Esteve Química, S.A. (ES) 2012-12-19 EP disclosed
US-20120309976-A1 PREPARATION PROCESS OF THE SODIUM SALT OF ESOMEPRAZOLE Esteve Química, S.A. (ES) 2012-12-06 US disclosed
WO-2011098553-A1 PREPARATION PROCESS OF THE SODIUM SALT OF ESOMEPRAZOLE Esteve Química, S.A. (ES) 2011-08-18 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-20120309976-A1 PREPARATION PROCESS OF THE SODIUM SALT OF ESOMEPRAZOLE CYP2E1, ADH1C, ADH1A RNPEP 1307/4885ALDH1A1 75/4885SLC7A5 659/4885

“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.