SCHEMBL7010552

SCHEMBL7010552

Cc1c(OCC(F)(F)F)ccnc1C[S+]([O-])c1nc2ccccc2n1S(=O)(=O)c1ccc(OCC(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.40
TSHR P16473 3/20 0.40
HTT P42858 2/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
NOD1 Q9Y239 5/20 0.39
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C19 P33261 3/20 0.38
GAA P10253 3/20 0.38
WDR5 P61964 2/20 0.38
KMT2A Q03164 2/20 0.38
ENGASE Q8NFI3 2/20 0.38
NPC1 O15118 2/20 0.38
CYP2C9 P11712 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL5760383 0.93 MAPT (0.44) MAPTALDH1A1TSHRHTTTP53
SCHEMBL13138459 0.93 MAPT (0.44) MAPTALDH1A1TSHRHTTTP53
SCHEMBL5760369 0.93 MAPT (0.44) MAPTALDH1A1TSHRHTTTP53
SCHEMBL5760364 0.93 MAPT (0.44) MAPTALDH1A1TSHRHTTTP53
SCHEMBL7016453 0.92 MAPT (0.40) MAPTALDH1A1TSHRHTTTP53
SCHEMBL13008041 0.92 MAPT (0.43) MAPTALDH1A1TSHRHTTTP53
SCHEMBL7222960 0.91 MAPT (0.43) MAPTALDH1A1TSHRHTTTP53
SCHEMBL7007033 0.89 MAPT (0.47) MAPTALDH1A1TSHRHTTTP53
SCHEMBL7014253 0.89 MAPT (0.50) MAPTALDH1A1TSHRHTTTP53
SCHEMBL5763871 0.89 MAPT (0.43) MAPTALDH1A1TSHRHTTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6559167-B1 Prodrugs of the pyridyl methyl sulfinyl benzimidazole type proton pump inhibitor drugs have a hydrolyzable arylsulfonyl or heteroarylsulfonyl group attached to the benzimidazole nitrogen. The prodrugs of the invention hydrolyze under REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-05-06 US claimed
EP-1105387-B1 PRODRUGS OF PROTON PUMP INHIBITORS WINSTON PHARMATEUTICALS LLC (US) 2003-01-29 EP claimed
EP-1105387-A1 PRODRUGS OF PROTON PUMP INHIBITORS Partnership of Michael E. Garst, George Sachs and Jai Moo Shin (US) 2001-06-13 EP claimed
WO-2000009498-A1 PRODRUGS OF PROTON PUMP INHIBITORS PARTNERSHIP OF MICHAEL E. GARST, GEORGE SACHS AND JAI MOO SHIN (US) 2000-02-24 WO claimed
US-20100317689-A1 Prodrugs of proton pump inhibitors including the 1h-imidazo[4,5-b] pyridine moiety ALEVIUM PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100113524-A1 Prodrugs of proton pump inhibitors including the (1h-pyrrol-1-yl)-1h-benzimidazole moiety ALEVIUM PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-6559167-B1 Prodrugs of the pyridyl methyl sulfinyl benzimidazole type proton pump inhibitor drugs have a hydrolyzable arylsulfonyl or heteroarylsulfonyl group attached to the benzimidazole nitrogen. The prodrugs of the invention hydrolyze under REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-05-06 US disclosed
EP-1105387-B1 PRODRUGS OF PROTON PUMP INHIBITORS WINSTON PHARMATEUTICALS LLC (US) 2003-01-29 EP disclosed
EP-1105387-A1 PRODRUGS OF PROTON PUMP INHIBITORS Partnership of Michael E. Garst, George Sachs and Jai Moo Shin (US) 2001-06-13 EP disclosed
WO-2000009498-A1 PRODRUGS OF PROTON PUMP INHIBITORS PARTNERSHIP OF MICHAEL E. GARST, GEORGE SACHS AND JAI MOO SHIN (US) 2000-02-24 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 (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-20100317689-A1 Prodrugs of proton pump inhibitors including the 1h-imidazo[4,5-b] pyridine moiety ABCB11, ATP6AP1, CYP4B1 MAPT 3955/4885ALDH1A1 625/4885TSHR 1190/4885
US-20100113524-A1 Prodrugs of proton pump inhibitors including the (1h-pyrrol-1-yl)-1h-benzimidazole moiety ABCB11, ATP6AP1, PAH MAPT 3840/4885ALDH1A1 290/4885TSHR 1359/4885

“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.