SCHEMBL5359135

SCHEMBL5359135

COc1ccc2c(c1)=NC(S)(S(=O)(=O)c1ccc(OCC(N)=O)cc1)N=2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 3/20 0.36
RAPGEF3 O95398 1/20 0.36
MAPT P10636 2/20 0.35
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
ACACA Q13085 1/20 0.35
BLM P54132 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 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
SCHEMBL5362121 0.89 LMNA (0.37) MAPK1LMNAMEN1KMT2AALDH1A1
SCHEMBL5366593 0.89 MAPK1 (0.51) MAPK1LMNAALDH1A1RAPGEF3MAPT
SCHEMBL5370445 0.81 DYRK1A (0.37) MAPK1LMNAKMT2AALDH1A1RAPGEF3
SCHEMBL5370647 0.79 ALDH1A1 (0.42) MAPK1ALDH1A1POLB
SCHEMBL1031505 0.70 MAPT (0.58) MAPK1LMNAMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL8781907 0.69 MAPT (0.57) MAPK1LMNAMEN1KMT2AALDH1A1
SCHEMBL5367144 0.68 ALDH1A1 (0.51) MAPK1LMNAMEN1KMT2AALDH1A1
SCHEMBL5368085 0.67 MAPK1 (0.60) MAPK1LMNAMEN1KMT2AALDH1A1
SCHEMBL5368049 0.67 MAPK1 (0.63) MAPK1LMNAMEN1KMT2AALDH1A1
SCHEMBL5378208 0.67 CXCL8 (0.44) MAPK1LMNAALDH1A1MAPTPOLB

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
US-7294716-B2 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALLERGAN, INC. (US) 2007-11-13 US disclosed
EP-1644352-A1 PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS Allergan, Inc. (US) 2006-04-12 EP disclosed
WO-2005016917-A1 PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS ALLERGAN, INC. (US) 2005-02-24 WO disclosed
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2005-02-17 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-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 MAPK1 1186/4885LMNA 1693/4885MEN1 2438/4885

“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.