SCHEMBL2340644

SCHEMBL2340644

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MME P08473 2/20 0.31
ACE P12821 2/20 0.31
CPA1 P15085 2/20 0.31
ACE2 Q9BYF1 2/20 0.31
FOLH1 Q04609 2/20 0.30
NAALAD2 Q9Y3Q0 2/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
USP2 O75604 1/20 0.30
TSHR P16473 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
SCHEMBL15658171 0.83 TDP1 (0.43) HSD17B10CA1CA2CA7CA14
SCHEMBL15992208 0.82 MMP1 (0.41) HSD17B10CA1CA2CA7CA14
SCHEMBL28240252 0.80 HAO1 (0.42)
SCHEMBL2153461 0.79
SCHEMBL2340413 0.79 RNPEP (0.38) MMECPA1MMP1MMP3
SCHEMBL6914535 0.79 LDHA (0.35) MMEACECPA1ACE2FOLH1
SCHEMBL7948515 0.79 ALDH1A1 (0.39) CA2
SCHEMBL409846 0.75 MMP1 (0.37) HSD17B10CA1CA2CA7CA14
SCHEMBL410004 0.75 ALDH1A1 (0.38) HSD17B10CA1CA2CA7CA14
SCHEMBL518088 0.75 LDHA (0.40) MMEACECPA1ACE2FOLH1

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 6 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
CN-102770423-A Preparation process of the sodium salt of esomeprazole ESTEVE QUIMICA SA 2012-11-07 CN 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 HSD17B10 878/4885CA1 2718/4885CA2 1800/4885

“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.