SCHEMBL5366597

SCHEMBL5366597

COC(=O)COc1ccc(S(=O)(=O)n2c(S)nc3ccc(OC)cc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ACSS2 Q9NR19 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 2/20 0.42
CXCL8 P10145 1/20 0.42
NOD1 Q9Y239 1/20 0.42
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
GLA P06280 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL14387883 0.92 MAPK1 (0.48) MAPK1ALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL5378208 0.90 CXCL8 (0.44) MAPK1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL5359147 0.81 CXCL8 (0.44) MAPK1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL5763368 0.80 MTNR1A (0.43) ALDH1A1MAPTMTNR1AMTNR1B
SCHEMBL5362129 0.80 CXCL8 (0.39) ALDH1A1MAPTSMN1; SMN2LMNATSHR
SCHEMBL14356225 0.79 MAPK1 (0.39) MAPK1ALDH1A1MAPTACSS2SMN1; SMN2
SCHEMBL5370652 0.78 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2POLBGAAKMT2A
SCHEMBL5361796 0.77 BRS3 (0.48) MAPK1ALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL5370451 0.76 CXCL8 (0.39) MAPK1ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL14495759 0.76 CYP2C9 (0.42) MAPK1ALDH1A1MAPTCYP2C9CYP2C19

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 7 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-20050182101-A1 Prodrugs of proton pump inhibitors GARST MICHAEL (US) 2005-08-18 US disclosed
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention GARST MICHAEL (US) 2005-06-30 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 (4 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 MAPK1 590/4885ALDH1A1 397/4885MAPT 4100/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 MAPK1 1186/4885ALDH1A1 1650/4885MAPT 4649/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI MAPK1 837/4885ALDH1A1 405/4885MAPT 4128/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI MAPK1 819/4885ALDH1A1 494/4885MAPT 4098/4885

“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.