SCHEMBL5377800

SCHEMBL5377800

COc1ccc2c(c1)nc(S)n2S(=O)(=O)c1c(C)cc(OCC(=O)O)cc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MCL1 Q07820 5/20 0.41
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
PPARD Q03181 2/20 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
SCHEMBL14356225 0.91 MAPK1 (0.39) TSHRPOLBGAALMNATDP1
SCHEMBL5726545 0.84 ALDH1A1 (0.40) TSHRPOLBGAALMNATDP1
SCHEMBL6511360 0.83 TDP1 (0.43) TSHRPOLBGAALMNATDP1
SCHEMBL5366660 0.82 BRD4 (0.40) GAA
SCHEMBL14387883 0.78 MAPK1 (0.48) TSHRPOLBGAALMNAMEN1
SCHEMBL5359147 0.78 CXCL8 (0.44) TSHRLMNAMEN1KMT2AALDH1A1
SCHEMBL14356228 0.77 CYP2C9 (0.41) TSHRPOLBGAAMCL1LMNA
SCHEMBL5370549 0.76 CYP2C9 (0.40) TSHRPOLBGAAMCL1LMNA
SCHEMBL5378083 0.76 RORC (0.35) TSHRPOLBGAALMNAKMT2A
SCHEMBL5762457 0.76 CYP2C9 (0.40) TSHRPOLBGAAMCL1LMNA

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 TSHR 2184/4885POLB 3596/4885GAA 83/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 TSHR 2081/4885POLB 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.