SCHEMBL21880656

SCHEMBL21880656

CC(CS)c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP19A1 P11511 2/20 0.37
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP17A1 P05093 2/20 0.34
POLB P06746 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
AKT1 P31749 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL17469429 0.78 CYP3A4 (0.44) CYP3A4CYP2C19GAASLC6A2SLC6A4
SCHEMBL117057 0.78 CYP3A4 (0.44) CYP3A4CYP2C19GAASLC6A2SLC6A4
SCHEMBL10031596 0.78 CYP3A4 (0.44) CYP3A4CYP2C19GAASLC6A2SLC6A4
SCHEMBL23689572 0.76 CYP3A4 (0.43) CYP3A4CYP2C19GAASLC6A2SLC6A4
SCHEMBL7255778 0.76 CYP3A4 (0.43) CYP3A4CYP2C19GAASLC6A2SLC6A4
SCHEMBL11728032 0.76 TAAR1 (0.60) CYP3A4CYP2C19GAASLC6A2SLC6A4
SCHEMBL7255781 0.76 CYP3A4 (0.43) CYP3A4CYP2C19GAASLC6A2SLC6A4
SCHEMBL901919 0.75 TAAR1 (0.58) ALDH1A1TAAR1L3MBTL1
SCHEMBL14644971 0.75 TAAR1 (0.58) ALDH1A1TAAR1L3MBTL1
SCHEMBL23710142 0.75 TAAR1 (0.58) ALDH1A1TAAR1L3MBTL1

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-20200115356-A1 Modulation of Bacterial Quorum Sensing With Synthetic Ligands WISCONSIN ALUMNI RESEARCH FOUNDATION 2020-04-16 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-20200115356-A1 Modulation of Bacterial Quorum Sensing With Synthetic Ligands AHCYL1, EBPL, AIP CYP3A4 4184/4885CYP2C19 4566/4885GAA 4567/4885

“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.