SCHEMBL5763540

SCHEMBL5763540

COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3n2S(=O)(=O)c2ccc(OCC(=O)OCCS(=O)(=O)c3ccc(C)cc3)cc2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOD1 Q9Y239 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 3/20 0.35
PKM P14618 2/20 0.35
NPC1 O15118 1/20 0.35
ABCB11 O95342 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH3A1 P30838 1/20 0.35
PSEN1 P49768 1/20 0.34

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
SCHEMBL5763941 0.92 NPC1 (0.34) ALDH1A1TSHRHTTTP53MAPK1
SCHEMBL5762524 0.90 MAPT (0.39) ALDH1A1TSHRHTTTP53MAPK1
SCHEMBL5763411 0.88 ALDH1A1 (0.44) ALDH1A1TSHRHTTTP53MAPK1
SCHEMBL13053533 0.88 ALDH1A1 (0.44) ALDH1A1TSHRHTTTP53MAPK1
SCHEMBL5763423 0.88 ALDH1A1 (0.44) ALDH1A1TSHRHTTTP53MAPK1
SCHEMBL7013495 0.87 ALDH1A1 (0.43) ALDH1A1TSHRHTTTP53MAPK1
SCHEMBL5763405 0.87 ALDH1A1 (0.43) ALDH1A1TSHRHTTTP53MAPK1
SCHEMBL5760947 0.86 GAA (0.35) ALDH1A1TSHRHTTTP53MAPK1
SCHEMBL5761630 0.84 NPC1 (0.34) ALDH1A1TSHRHTTTP53MAPK1
SCHEMBL3391394 0.84 PSEN1 (0.32) ALDH1A1TSHRHTTTP53MAPK1

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 7 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
EP-1556371-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR Winston Pharmaceuticals LLC (US) 2005-07-27 EP disclosed
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention GARST MICHAEL (US) 2005-06-30 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
WO-2004009583-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR GARST MICHAEL E (US) 2004-01-29 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 (3 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 ALDH1A1 397/4885TSHR 2184/4885HTT 2162/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI ALDH1A1 405/4885TSHR 1929/4885HTT 1653/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI ALDH1A1 494/4885TSHR 2077/4885HTT 2252/4885

“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.