SCHEMBL22883166

SCHEMBL22883166

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 3/20 0.58
TAS2R38 P59533 1/20 0.50
MIF P14174 1/20 0.43
RAD51 Q06609 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.38
HPGD P15428 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL728602 0.85 P2RY6 (0.58) P2RY6TAS2R38MIFCA1CA2
SCHEMBL3804765 0.83 RAB9A (0.56) P2RY6RAD51CA1CA2MAPT
SCHEMBL13498468 0.81 P2RY6 (0.64) P2RY6MIFMAPTALDH1A1CYP3A4
SCHEMBL31651948 0.78 P2RY6 (0.56) P2RY6MIFCA1CA2MAPT
SCHEMBL14511451 0.78 TAS2R38 (0.75) TAS2R38CA1CA2MAPTALDH1A1
SCHEMBL14341482 0.78 P2RY6 (0.59) P2RY6CA1CA2MAPTALDH1A1
SCHEMBL14605344 0.78 P2RY6 (0.72) P2RY6MAPTALDH1A1CYP3A4KMT2A
SCHEMBL4572230 0.76 P2RY6 (0.53) P2RY6MIFRAD51CA1CA2
SCHEMBL6226041 0.75 RAD51 (0.54) P2RY6RAD51MAPTALDH1A1KMT2A
SCHEMBL1533523 0.75 RAD51 (0.54) P2RY6RAD51MAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253950-A1 ULTRABRIGHT LUMINESCENT LANTHANIDE NANOPARTICLES COMPRISING TERBIUM, WITH LONGER EXCITED-STATE LIFETIME UNIVERSITE PARIS SACLAY (FR) 2021-08-19 US disclosed
US-11033642-B2 Multidentate bifunctional chelating agents for radionuclide complexation in diagnostics and therapy UNIVERSITAT ZURICH (CH) 2021-06-15 US disclosed
EP-3591024-B1 ULTRABRIGHT LUMINESCENT LANTHANIDE NANOPARTICLES COMPRISING TERBIUM, WITH LONGER EXCITED-STATE LIFETIME UNIV STRASBOURG (FR) 2021-01-13 EP 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-11033642-B2 Multidentate bifunctional chelating agents for radionuclide complexation in diagnostics and therapy AOC1, XDH, FOLR1 P2RY6 1794/4885TAS2R38 4110/4885MIF 3697/4885

“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.