SCHEMBL5370445

SCHEMBL5370445

COC(=O)C(C)(C)COc1ccc(S(=O)(=O)C2(S)N=c3ccc(OC)cc3=N2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.37
DGAT1 O75907 5/20 0.36
MMP13 P45452 6/20 0.34
MAPK1 P28482 1/20 0.34
MMP2 P08253 1/20 0.34
MMP8 P22894 1/20 0.34
MMP9 P14780 5/20 0.34
PKM P14618 2/20 0.33
HPGD P15428 2/20 0.33
MMP1 P03956 4/20 0.33
ADAM17 P78536 4/20 0.33
TSHR P16473 2/20 0.32
RAPGEF3 O95398 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL5366593 0.83 MAPK1 (0.51) MAPK1TSHRRAPGEF3POLBGAA
SCHEMBL5359135 0.81 MAPK1 (0.39) MAPK1RAPGEF3POLBLMNAALDH1A1
SCHEMBL5378086 0.77 ALDH1A1 (0.35) MMP13MMP1POLBGAALMNA
SCHEMBL5446479 0.76 BRS3 (0.37) DYRK1ADGAT1PKMHPGDALDH1A1
SCHEMBL5370647 0.74 ALDH1A1 (0.42) MAPK1PKMPOLBGAAALDH1A1
SCHEMBL5364279 0.73 DGAT1 (0.45) DYRK1ADGAT1MMP13MMP9MMP1
SCHEMBL5362121 0.73 LMNA (0.37) MAPK1GAALMNAALDH1A1HTT
SCHEMBL3881117 0.73 DGAT1 (0.49) DGAT1MAPK1GAALMNAALDH1A1
SCHEMBL5368104 0.69 MAPK1 (0.50) MAPK1PKMHPGDTSHRLMNA
SCHEMBL5377787 0.69 POLB (0.45) HPGDTSHRPOLBGAALMNA

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 2 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-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 DYRK1A 2271/4885DGAT1 4563/4885MMP13 3547/4885

“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.