SCHEMBL5378206

SCHEMBL5378206

COc1cc(S(=O)(=O)c2ccc(OCC(N)=O)cc2)c2nc(S)[nH]c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
ALDH1A1 P00352 3/20 0.36
ACACA Q13085 1/20 0.36
MAPT P10636 3/20 0.36
RAPGEF3 O95398 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPY1R P25929 1/20 0.35
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 0.35
MMP12 P39900 1/20 0.35
MMP13 P45452 1/20 0.35
MMP14 P50281 1/20 0.35
MMP16 P51512 1/20 0.35
PRF1 P14222 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL5366595 0.90 MAPK1 (0.44) LMNAALDH1A1MAPTRAPGEF3NPC1
SCHEMBL5362123 0.89 PTGER3 (0.37) LMNAALDH1A1MAPTGAAKMT2A
SCHEMBL5378214 0.84 ALDH1A1 (0.36) LMNAALDH1A1ACACAMAPTRAPGEF3
SCHEMBL5359143 0.82 ACACA (0.38) LMNAALDH1A1ACACAMAPTNPC1
SCHEMBL5365323 0.77 BRS3 (0.56) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL5359154 0.74 PDE10A (0.40) LMNAALDH1A1ACACAMAPTNPC1
SCHEMBL5362138 0.74 SNCA (0.36) LMNAALDH1A1MAPTRAPGEF3KMT2A
SCHEMBL5370926 0.73 SNCA (0.40) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL6478116 0.69 CYP2C9 (0.60) ALDH1A1MAPTRAPGEF3GAANPSR1
SCHEMBL5370447 0.67 DGAT1 (0.37) ALDH1A1MAPTGAAKMT2AMEN1

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 LMNA 1693/4885ALDH1A1 1650/4885ACACA 4107/4885

“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.