SCHEMBL20128347

SCHEMBL20128347

CCCc1ccc(S)[n+]([O-])c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.36
LPL P06858 2/20 0.35
LIPG Q9Y5X9 2/20 0.35
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MGLL Q99685 1/20 0.32
PLK1 P53350 1/20 0.32
THRB P10828 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL20128352 0.83 CA2 (0.42) CA2L3MBTL1LPLLIPGHTR2A
SCHEMBL7624530 0.71 CNR1 (0.37) CA2LPLLIPGCNR2CNR1
SCHEMBL20128366 0.69 FFAR4 (0.37) CA2CNR2CNR1FFAR4
SCHEMBL142480 0.67 LPL (0.62) CA2L3MBTL1LPLLIPGCNR2
SCHEMBL186074 0.66 LPL (0.50) CA2L3MBTL1LPLLIPGCNR2
SCHEMBL20128358 0.65
SCHEMBL20128363 0.65
SCHEMBL18359061 0.65 GPR84 (0.56)
SCHEMBL327381 0.65 TAAR1 (0.62) CA2L3MBTL1LPLLIPGCNR2
SCHEMBL11154258 0.65 TAAR1 (0.62) CA2L3MBTL1LPLLIPGCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127597-A1 MOLD RESISTANT FORMABLE CORK THE BOEING COMPANY (US) 2018-05-10 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-20180127597-A1 MOLD RESISTANT FORMABLE CORK HEATR1, GRHPR, CBR3 CA2 2353/4885L3MBTL1 1588/4885LPL 4731/4885

“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.