SCHEMBL5359776

SCHEMBL5359776

COc1ccc2c(c1)=NC(S)(S(=O)(=O)c1ccc(OCC(=O)OCCS(=O)(=O)c3ccc(C)cc3)c(OCC(=O)OCCS(=O)(=O)c3ccc(C)cc3)c1)N=2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
POLB P06746 2/20 0.37
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PAX8 Q06710 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 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 0.81 LMNA (0.37) ALDH1A1GAACYP1A2CYP3A4MAPT
SCHEMBL5358306 0.80 PAX8 (0.42) ALDH1A1POLBGAACYP1A2CYP3A4
SCHEMBL5378086 0.76 ALDH1A1 (0.35) ALDH1A1POLBGAACYP1A2CYP3A4
SCHEMBL5366593 0.75 MAPK1 (0.51) ALDH1A1POLBGAAMAPTCYP2C9
SCHEMBL5359772 0.75 ALDH1A1 (0.37) ALDH1A1POLBGAACYP1A2CYP3A4
SCHEMBL5361897 0.75 KMT2A (0.43) ALDH1A1GAACYP3A4CYP2C9CYP2C19
SCHEMBL5359815 0.75 MAPK1 (0.48) ALDH1A1POLBGAAMAPTKMT2A
SCHEMBL5378016 0.73 MAPT (0.51) ALDH1A1POLBMAPTKMT2AMAPK1
SCHEMBL5760942 0.72 KMT2A (0.45) ALDH1A1GAAPAX8KMT2AKDM4E
SCHEMBL5763384 0.72 LMNA (0.52) ALDH1A1GAACYP1A2CYP3A4MAPT

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
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-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 (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-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 ALDH1A1 1650/4885POLB 1255/4885GAA 134/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI ALDH1A1 494/4885POLB 3580/4885GAA 80/4885

“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.