SCHEMBL5370652

SCHEMBL5370652

COC(=O)CCCCCNC(=O)COc1ccc(S(=O)(=O)n2c(S)nc3cc(OC)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.41
BRD4 O60885 4/20 0.40
ACHE P22303 1/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
BRDT Q58F21 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DYRK1A Q13627 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 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
SCHEMBL5366660 0.90 BRD4 (0.40) GAABRD4BRD2BRD3BRDT
SCHEMBL14387883 0.86 MAPK1 (0.48) ALDH1A1POLBGAAKMT2ASMN1; SMN2
SCHEMBL5358423 0.81 BRS3 (0.40) ALDH1A1POLBGAABRD4BRD2
SCHEMBL5359147 0.80 CXCL8 (0.44) ALDH1A1KMT2APKMSMN1; SMN2
SCHEMBL5370915 0.80 ALDH1A1 (0.35) ALDH1A1POLBGAABRD4BRD2
SCHEMBL5366597 0.78 MAPK1 (0.48) ALDH1A1POLBGAAKMT2ASMN1; SMN2
SCHEMBL5360419 0.76 SMN1; SMN2 (0.50) ALDH1A1POLBGAAKMT2APKM
SCHEMBL5370451 0.75 CXCL8 (0.39) ALDH1A1BRD4KDM4EPKMSMN1; SMN2
SCHEMBL5367218 0.74 BRS3 (0.39) BRD4BRD2BRD3BRDTKMT2A
SCHEMBL14356225 0.74 MAPK1 (0.39) ALDH1A1POLBGAAKDM4ESMN1; SMN2

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 3 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-7294716-B2 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALLERGAN, INC. (US) 2007-11-13 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 (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 ALDH1A1 1650/4885POLB 1255/4885GAA 134/4885

“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.