SCHEMBL2525193

SCHEMBL2525193

CC(C)(C)OC(=O)N1CCSC1=S

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
USP2 O75604 1/20 0.39
CTSK P43235 1/20 0.38
XDH P47989 1/20 0.37
KDM1A O60341 1/20 0.35
NR1H2 P55055 1/20 0.34
BCHE P06276 1/20 0.34
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL2540069 1.00 MAPT (0.46) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL2101375 0.81 USP2 (0.40) MAPTKMT2ASMN1; SMN2USP2CTSK
SCHEMBL10374140 0.80 MAPT (0.50) MAPTKMT2AALDH1A1CYP1A2CYP2C19
Oxygen SCHEMBL28667256 0.79 USP2 (0.39) MAPTKMT2ASMN1; SMN2USP2CTSK
SCHEMBL16416175 0.78 USP2 (0.38) MAPTSMN1; SMN2USP2CTSKKDM1A
SCHEMBL229110 0.77 KMT2A (0.50) MAPTKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL3243997 0.76 USP2 (0.44) MAPTKMT2AALDH1A1SMN1; SMN2USP2
SCHEMBL20304663 0.74 NR1H2 (0.37) SMN1; SMN2USP2CTSKKDM1ANR1H2
SCHEMBL823726 0.74
SCHEMBL3255385 0.73 CTSK (0.49) MAPTKMT2AALDH1A1SMN1; SMN2USP2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039501-B2 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2011-10-18 US claimed
US-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2009-01-29 US claimed
US-8039501-B2 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2011-10-18 US disclosed
US-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents UNIVERSITEIT GENT (BE) 2009-01-29 US disclosed
EP-1963255-A1 SYNEPHRINE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS UNIVERSITEIT GENT (BE) 2008-09-03 EP disclosed
WO-2007071452-A1 SYNEPHRINE DERIVATIVES USEFUL AS ANTI-INFLAMMATORY AGENTS UNIVERSITEIT GENT (BE) 2007-06-28 WO 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-20090029999-A1 Synephrine derivatives useful as anti-inflammatory agents HRH1, HRH3, HRH2 MAPT 2834/4885KMT2A 2317/4885ALDH1A1 3248/4885

“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.