SCHEMBL13728136

SCHEMBL13728136

Cc1c(OCCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MAPT P10636 5/20 0.52
CYP2C9 P11712 4/20 0.52
WDR5 P61964 4/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
LMNA P02545 4/20 0.52
ENGASE Q8NFI3 3/20 0.52
SARM1 Q6SZW1 3/20 0.52
ATP1A1 P05023 3/20 0.52
ATP1B1 P05026 3/20 0.52
ATP1A3 P13637 3/20 0.52
ATP1B2 P14415 3/20 0.52
ATP4A P20648 3/20 0.52
ATP1A2 P50993 3/20 0.52
ATP4B P51164 3/20 0.52
ATP1B3 P54709 3/20 0.52
FXYD2 P54710 3/20 0.52
ATP1A4 Q13733 3/20 0.52
CYP1A2 P05177 2/20 0.52

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
Dexlansoprazole SCHEMBL29950208 0.90 CYP2C9 (0.63) KMT2AMAPTCYP2C9WDR5NPC1
Dexlansoprazole SCHEMBL29750802 0.90 CYP2C9 (0.63) KMT2AMAPTCYP2C9WDR5NPC1
Dexlansoprazole SCHEMBL29353881 0.90 CYP2C9 (0.63) KMT2AMAPTCYP2C9WDR5NPC1
Lansoprazole SCHEMBL22366 0.90 CYP2C9 (0.63) KMT2AMAPTCYP2C9WDR5NPC1
Lansoprazole SCHEMBL1559598 0.90 CYP2C9 (0.63) KMT2AMAPTCYP2C9WDR5NPC1
Lansoprazole SCHEMBL29358567 0.90 CYP2C9 (0.63) KMT2AMAPTCYP2C9WDR5NPC1
Dexlansoprazole SCHEMBL29598842 0.90 CYP2C9 (0.63) KMT2AMAPTCYP2C9WDR5NPC1
Dexlansoprazole SCHEMBL44975 0.90 CYP2C9 (0.63) KMT2AMAPTCYP2C9WDR5NPC1
Lansoprazole SCHEMBL8597994 0.90 CYP2C9 (0.63) KMT2AMAPTCYP2C9WDR5NPC1
Lansoprazole SCHEMBL29353345 0.90 CYP2C9 (0.63) KMT2AMAPTCYP2C9WDR5NPC1

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-20090209592-A1 INHIBITORS OF THE GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-20 US disclosed
US-20090209592-A1 INHIBITORS OF THE GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-20 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-20090209592-A1 INHIBITORS OF THE GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES ATP4A, ATP6V1G1, ATP6V1E1 KMT2A 3116/4885MAPT 3576/4885CYP2C9 2123/4885

“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.