SCHEMBL13547174

SCHEMBL13547174

Cc1c(OCC(F)(F)F)ccnc1C[SH](C)(=O)c1nc2ccccc2[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 4/20 0.62
▸ MAPT P10636 4/20 0.62
▸ NPC1 O15118 4/20 0.62
▸ RAB9A P51151 4/20 0.62
▸ ATP4A P20648 4/20 0.62
▸ ATP4B P51164 4/20 0.62
▸ WDR5 P61964 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ ENGASE Q8NFI3 3/20 0.62
▸ SARM1 Q6SZW1 3/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ ATP1A1 P05023 3/20 0.62
▸ ATP1B1 P05026 3/20 0.62
▸ ATP1A3 P13637 3/20 0.62
▸ ATP1B2 P14415 3/20 0.62
▸ ATP1A2 P50993 3/20 0.62
▸ ATP1B3 P54709 3/20 0.62
▸ FXYD2 P54710 3/20 0.62
▸ ATP1A4 Q13733 3/20 0.62
▸ CYP1A2 P05177 2/20 0.62

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
SCHEMBL14988972 0.85 MAPT (0.57) CYP2C9MAPTNPC1RAB9AATP4A
SCHEMBL106666 0.77 CYP2C9 (0.63) CYP2C9MAPTNPC1RAB9AATP4A
SCHEMBL30052062 0.77 CYP2C9 (0.63) CYP2C9MAPTNPC1RAB9AATP4A
SCHEMBL23988433 0.77 CYP2C9 (0.63) CYP2C9MAPTNPC1RAB9AATP4A
SCHEMBL13607834 0.77 MAPT (0.63) CYP2C9MAPTNPC1RAB9AATP4A
Lansoprazole Sulfide SCHEMBL30053816 0.76 RAB9A (1.00) CYP2C9MAPTNPC1RAB9AATP4A
Lansoprazole Sulfide SCHEMBL106519 0.76 RAB9A (1.00) CYP2C9MAPTNPC1RAB9AATP4A
Lansoprazole Sulfide SCHEMBL6948284 0.76 RAB9A (0.98) CYP2C9MAPTNPC1RAB9AATP4A
Lansoprazole Sulfide SCHEMBL1680900 0.76 RAB9A (0.98) CYP2C9MAPTNPC1RAB9AATP4A
Lansoprazole Sulfide SCHEMBL1681186 0.76 RAB9A (0.98) CYP2C9MAPTNPC1RAB9AATP4A

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-20100010230-A1 Method for the purification of lansoprazole ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2010-01-14 — — US disclosed
US-20100010230-A1 Method for the purification of lansoprazole ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2010-01-14 — — 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-20100010230-A1 Method for the purification of lansoprazole PGA5, CYP3A7, CYP51A1 CYP2C9 56/4885MAPT 4373/4885NPC1 961/4885

“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.

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