SCHEMBL5377787

SCHEMBL5377787

COc1ccc2c(c1)=NC(S)(S(=O)(=O)c1c(C)cc(OCC(=O)O)cc1C)N=2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.43
MCL1 Q07820 1/20 0.41
HPGD P15428 1/20 0.38
PTPRB P23467 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PPARD Q03181 7/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 2/20 0.38
FFAR1 O14842 1/20 0.38
THRA P10827 3/20 0.38
THRB P10828 3/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6511352 0.82 TDP1 (0.46) POLBGAATSHRHPGDPPARG
SCHEMBL5366652 0.81 HPGD (0.38) GAATSHRHPGDALDH1A1
SCHEMBL5359135 0.77 MAPK1 (0.39) POLBLMNATHRBALDH1A1
SCHEMBL5366593 0.77 MAPK1 (0.51) POLBGAATSHRLMNAALDH1A1
SCHEMBL5378086 0.74 ALDH1A1 (0.35) POLBGAALMNAHTTALDH1A1
SCHEMBL5362121 0.72 LMNA (0.37) GAALMNAHTTALDH1A1
SCHEMBL5370445 0.69 DYRK1A (0.37) POLBGAATSHRLMNAHPGD
SCHEMBL5377800 0.69 TSHR (0.42) POLBGAATSHRLMNAMCL1
SCHEMBL19766447 0.68 HSD17B10 (0.55) POLBGAATSHRLMNAMCL1
SCHEMBL5370647 0.68 ALDH1A1 (0.42) POLBGAAALDH1A1

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-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
US-20040102484-A1 Prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2004-05-27 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-20040102484-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI POLB 3596/4885GAA 83/4885TSHR 2184/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 POLB 1255/4885GAA 134/4885TSHR 2081/4885

“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.