SCHEMBL5360419

SCHEMBL5360419

COC(=O)CCCCCNC(=O)COc1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
PKM P14618 1/20 0.50
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
ALDH1A1 P00352 6/20 0.48
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
HDAC1 Q13547 1/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43

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
SCHEMBL5367238 0.82 RECQL (0.60) SMN1; SMN2PKMITGB3ITGA2BCYP2C9
SCHEMBL5370527 0.81 TSHR (0.46) ITGB3ITGA2BALDH1A1TSHRGRIN1
SCHEMBL4504044 0.79 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1CYP2C9CYP2C19TSHR
SCHEMBL28668616 0.78 ALDH1A1 (0.55) ITGB3ITGA2BALDH1A1GRIN1GRIN2B
SCHEMBL7340100 0.78 ITGB3 (0.63) SMN1; SMN2PKMITGB3ITGA2BALDH1A1
SCHEMBL5368271 0.78 MAPK1 (0.53) SMN1; SMN2PKMITGB3ITGA2BALDH1A1
SCHEMBL5370647 0.78 ALDH1A1 (0.42) SMN1; SMN2PKMITGB3ITGA2BALDH1A1
SCHEMBL4674366 0.76 DYRK1A (0.46) SMN1; SMN2ALDH1A1CYP2C9CYP2C19POLB
SCHEMBL5365254 0.76 HDAC8 (0.50) ITGB3ITGA2BALDH1A1TSHRRECQL
SCHEMBL5368058 0.76 SMN1; SMN2 (0.52) SMN1; SMN2PKMALDH1A1HDAC1POLB

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 5 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
EP-1644352-A1 PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS Allergan, Inc. (US) 2006-04-12 EP disclosed
WO-2005016917-A1 PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS ALLERGAN, INC. (US) 2005-02-24 WO 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 SMN1; SMN2 2675/4885PKM 363/4885ITGB3 4146/4885

“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.