SCHEMBL5366595

SCHEMBL5366595

COC(=O)COc1ccc(S(=O)(=O)c2cc(OC)cc3[nH]c(S)nc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 4/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 2/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAPGEF3 O95398 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CNR1 P21554 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
SCHEMBL5378206 0.90 LMNA (0.37) ALDH1A1LMNAGAANPSR1POLB
SCHEMBL5361792 0.77 BRS3 (0.56) MAPK1ALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5370628 0.76 CYP2C9 (0.42) MAPK1ALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5378214 0.74 ALDH1A1 (0.36) ALDH1A1LMNAGAANPSR1POLB
SCHEMBL15426821 0.72 GAA (0.71) MAPK1ALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5370650 0.70 ALDH1A1 (0.37) MAPK1ALDH1A1SMN1; SMN2POLB
SCHEMBL17364453 0.68 GAA (0.63) MAPK1ALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5908176 0.68 GAA (0.63) MAPK1ALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4504044 0.67 ALDH1A1 (0.62) MAPK1ALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL12061812 0.66 GAA (0.66) MAPK1ALDH1A1CYP2C9CYP2C19SMN1; SMN2

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 MAPK1 1186/4885ALDH1A1 1650/4885CYP2C9 59/4885

“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.