SCHEMBL14511451

SCHEMBL14511451

CC(=S)Nc1ccc(NC(C)=S)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 3/20 0.75
ALDH1A1 P00352 7/20 0.48
MAPT P10636 4/20 0.48
GAA P10253 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
THRB P10828 1/20 0.48
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
TYR P14679 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL8705118 0.89 GAA (0.65) TAS2R38ALDH1A1MAPTGAAKMT2A
SCHEMBL863133 0.89 TAS2R38 (0.62) TAS2R38ALDH1A1MAPTGAAKMT2A
SCHEMBL14872243 0.89 TAS2R38 (0.62) TAS2R38ALDH1A1MAPTGAAKMT2A
SCHEMBL26156233 0.87 MAPT (0.62) TAS2R38ALDH1A1MAPTGAAKMT2A
SCHEMBL21985779 0.87 TAS2R38 (0.60) TAS2R38ALDH1A1MAPTGAAKMT2A
SCHEMBL10189868 0.87 EPHX1 (0.60) TAS2R38ALDH1A1MAPTGAAKMT2A
SCHEMBL28294619 0.87 TAS2R38 (0.60) TAS2R38ALDH1A1MAPTGAAKMT2A
SCHEMBL11718858 0.87 SMN1; SMN2 (0.67) TAS2R38ALDH1A1MAPTGAAKMT2A
SCHEMBL11738124 0.87 MEN1 (0.62) TAS2R38ALDH1A1MAPTGAAKMT2A
SCHEMBL14872162 0.87 TAS2R38 (0.60) TAS2R38ALDH1A1MAPTGAAKMT2A

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-20070098643-A1 Oligomers of gadolinium chelates, their applicationascontrast products in magnetic resonance imaging and their synthesis intermediates GUERBET (FR) 2007-05-03 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-20070098643-A1 Oligomers of gadolinium chelates, their applicationascontrast products in magnetic resonance imaging and their synthesis intermediates MGAT2, MGAT1, MGAT3 TAS2R38 3832/4885ALDH1A1 3281/4885MAPT 238/4885

“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.