Sugi Predict

Sugi Predict / Compounds / SCHEMBL5368641

SCHEMBL5368641

SCHEMBL5368641

COC(=O)COc1ccc(S(=O)(=O)n2c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc3cc(OC)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.40
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ ALDH1A1 P00352 6/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ HTT P42858 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ WDR5 P61964 2/20 0.37
▸ BRS3 P32247 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ DDAH1 O94760 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ ATP1A1 P05023 1/20 0.37
▸ ATP1B1 P05026 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL14495756 1.00 CYP2C9 (0.40) CYP2C9KMT2AMEN1MAPK1ALDH1A1
SCHEMBL5370630 0.94 CYP2C9 (0.42) CYP2C9KMT2AMEN1MAPK1ALDH1A1
SCHEMBL14495759 0.94 CYP2C9 (0.42) CYP2C9KMT2AMEN1MAPK1ALDH1A1
SCHEMBL14356226 0.93 CYP2C9 (0.40) CYP2C9KMT2AMEN1MAPK1ALDH1A1
Agn-201904 SCHEMBL2245875 0.93 CYP2C9 (0.41) CYP2C9KMT2AMEN1MAPK1ALDH1A1
Agn-201904 SCHEMBL2510925 0.93 CYP2C9 (0.41) CYP2C9KMT2AMEN1MAPK1ALDH1A1
Agn-201904 SCHEMBL5330690 0.93 CYP2C9 (0.41) CYP2C9KMT2AMEN1MAPK1ALDH1A1
Agn-201904 SCHEMBL5764653 0.93 CYP2C9 (0.41) CYP2C9KMT2AMEN1MAPK1ALDH1A1
Agn-201904 SCHEMBL29596867 0.93 CYP2C9 (0.41) CYP2C9KMT2AMEN1MAPK1ALDH1A1
SCHEMBL12353538 0.93 CYP2C9 (0.41) CYP2C9KMT2AMEN1MAPK1ALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6559167-B1 Prodrugs of the pyridyl methyl sulfinyl benzimidazole type proton pump inhibitor drugs have a hydrolyzable arylsulfonyl or heteroarylsulfonyl group attached to the benzimidazole nitrogen. The prodrugs of the invention hydrolyze under REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-05-06 — — US claimed
US-20100317689-A1 Prodrugs of proton pump inhibitors including the 1h-imidazo[4,5-b] pyridine moiety ALEVIUM PHARMACEUTICALS, INC. 2010-12-16 — — US disclosed
US-20100204279-A1 Therapeutic Salt Compositions and Methods RUBINO MARK P 2010-08-12 — — US disclosed
US-20100160380-A1 Therapeutic Salt Compositions and Methods RUBINO MARK P 2010-06-24 — — US disclosed
US-20100113524-A1 Prodrugs of proton pump inhibitors including the (1h-pyrrol-1-yl)-1h-benzimidazole moiety ALEVIUM PHARMACEUTICALS, INC. 2010-05-06 — — US disclosed
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-7294716-B2 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALLERGAN, INC. (US) 2007-11-13 — — US disclosed
US-20070254923-A1 THERAPEUTIC SALT COMPOSITIONS AND METHODS ALEVIUM PHARMACEUTICALS, INC. 2007-11-01 — — 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-6559167-B1 Prodrugs of the pyridyl methyl sulfinyl benzimidazole type proton pump inhibitor drugs have a hydrolyzable arylsulfonyl or heteroarylsulfonyl group attached to the benzimidazole nitrogen. The prodrugs of the invention hydrolyze under REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-05-06 — — 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 (6 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-20100317689-A1 Prodrugs of proton pump inhibitors including the 1h-imidazo[4,5-b] pyridine moiety ABCB11, ATP6AP1, CYP4B1 CYP2C9 44/4885KMT2A 1889/4885MEN1 1745/4885
US-20100113524-A1 Prodrugs of proton pump inhibitors including the (1h-pyrrol-1-yl)-1h-benzimidazole moiety ABCB11, ATP6AP1, PAH CYP2C9 88/4885KMT2A 2644/4885MEN1 1466/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 CYP2C9 59/4885KMT2A 1672/4885MEN1 2438/4885
US-20100160380-A1 Therapeutic Salt Compositions and Methods ASAH2, REN, ACER2 CYP2C9 4227/4885KMT2A 2690/4885MEN1 3805/4885
US-20100204279-A1 Therapeutic Salt Compositions and Methods ASAH2, REN, ACER2 CYP2C9 4227/4885KMT2A 2690/4885MEN1 3805/4885
US-20070254923-A1 THERAPEUTIC SALT COMPOSITIONS AND METHODS ASAH2, REN, ACER2 CYP2C9 4227/4885KMT2A 2690/4885MEN1 3805/4885

“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.