SCHEMBL5763258

SCHEMBL5763258

COc1ccc(C(=O)O)cc1S(=O)(=O)n1c([S+]([O-])Cc2nccc(OCC(F)(F)F)c2C)nc2ccccc21.[Na]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.38
MEN1 O00255 1/20 0.38
ALDH3A1 P30838 3/20 0.37
POLB P06746 2/20 0.36
ALDH1A1 P00352 3/20 0.36
WDR5 P61964 2/20 0.36
ENGASE Q8NFI3 2/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
RAB9A P51151 2/20 0.36
SARM1 Q6SZW1 1/20 0.36
DDAH1 O94760 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5763232 0.99 MAPT (0.42) MAPTKMT2AMEN1ALDH3A1POLB
SCHEMBL5763239 0.93 MAPT (0.42) MAPTKMT2AALDH3A1POLBALDH1A1
SCHEMBL5761743 0.93 MAPT (0.43) MAPTKMT2AALDH3A1POLBALDH1A1
SCHEMBL13215253 0.92 MAPT (0.43) MAPTKMT2AALDH3A1POLBALDH1A1
SCHEMBL2243394 0.92 MAPT (0.43) MAPTKMT2AALDH3A1POLBALDH1A1
SCHEMBL5762041 0.89 MAPT (0.43) MAPTKMT2AALDH3A1ALDH1A1WDR5
SCHEMBL5763367 0.89 MAPT (0.44) MAPTKMT2AALDH3A1ALDH1A1WDR5
SCHEMBL5762024 0.88 MAPT (0.42) MAPTKMT2AALDH3A1ALDH1A1WDR5
SCHEMBL5762005 0.88 MAPT (0.43) MAPTKMT2AALDH3A1ALDH1A1WDR5
SCHEMBL13215378 0.88 MAPT (0.38) MAPTKMT2AALDH3A1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556371-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR WINSTON PHARMACEUTICALS LLC (US) 2006-04-19 EP disclosed
US-20050182101-A1 Prodrugs of proton pump inhibitors GARST MICHAEL (US) 2005-08-18 US disclosed
US-6897227-B2 Prodrugs of proton pump inhibitors Winston Pharmaceuticals, Inc. (US) 2005-05-24 US disclosed
US-20040102484-A1 Prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2004-05-27 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 (2 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-20040102484-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI MAPT 4100/4885KMT2A 2483/4885MEN1 1514/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI MAPT 4098/4885KMT2A 2545/4885MEN1 1915/4885

“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.