SCHEMBL5763665

SCHEMBL5763665

COc1cccc(N)c1S(=O)(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ADRA2B P18089 1/20 0.50
PTGS1 P23219 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.41
MCL1 Q07820 1/20 0.41
CA2 P00918 7/20 0.40
CA1 P00915 5/20 0.40
ACHE P22303 2/20 0.40
TRPV4 Q9HBA0 1/20 0.40
HTR6 P50406 2/20 0.39
CA12 O43570 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 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
SCHEMBL1500874 0.86 CA2 (0.46) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL28499563 0.83 ALDH1A1 (0.52) ALDH1A1ADRA2BPTGS1TDP1MEN1
SCHEMBL1131641 0.83 ALDH1A1 (0.52) ALDH1A1ADRA2BPTGS1TDP1MEN1
SCHEMBL3814930 0.82 CYP1A2 (0.40) ALDH1A1ADRA2BPTGS1TDP1MEN1
SCHEMBL1607774 0.81 ALDH1A1 (0.50) ALDH1A1ADRA2BPTGS1TDP1MEN1
SCHEMBL31650151 0.79 TRPV4 (0.44) MAPTKDM4EMCL1CA2CA1
SCHEMBL743231 0.79 TRPV4 (0.41) ALDH1A1MEN1MAPTKMT2AKDM4E
Cyanide SCHEMBL27784410 0.79 ALDH1A1 (0.47) ALDH1A1ADRA2BPTGS1TDP1MEN1
SCHEMBL24866156 0.78 TRPV4 (0.40) ALDH1A1MAPTCA2CA1ACHE
SCHEMBL24429780 0.78 KAT6A (0.42) ALDH1A1TDP1KMT2ACA2CA1

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 397/4885ADRA2B 2193/4885PTGS1 172/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI ALDH1A1 405/4885ADRA2B 2356/4885PTGS1 181/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI ALDH1A1 494/4885ADRA2B 2049/4885PTGS1 218/4885

“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.