SCHEMBL18337043

SCHEMBL18337043

CN(CCn1c(C(F)(F)F)nc2sc([S+](C)[O-])nc2c1=O)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 6/20 0.38
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 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
SCHEMBL18338054 0.85 AADAT (0.38) AADATCACNA1GCACNA1BCACNA1C
SCHEMBL18337860 0.83 CACNA1G (0.31) AADATCACNA1GCACNA1BCACNA1C
SCHEMBL18337003 0.82 AADAT (0.46) AADAT
SCHEMBL18337933 0.81 AADAT (0.42) AADAT
SCHEMBL18336128 0.81 AADAT (0.37) AADAT
SCHEMBL18336217 0.77 RORC (0.42) AADAT
SCHEMBL18335774 0.75 PDE8B (0.38) AADAT
SCHEMBL18337641 0.74 AADAT (0.37) AADAT
SCHEMBL18337466 0.73 AADAT (0.33) AADAT
SCHEMBL18336738 0.73 AADAT (0.33) AADAT

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
EP-3683222-B1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-10-06 EP disclosed
EP-3683222-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2020-07-22 EP disclosed
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-09-04 US disclosed
EP-3135674-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2017-03-01 EP disclosed
US-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-29 US disclosed
US-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-12-29 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 (2 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-20160376289-A1 NOVEL BICYCLIC OR TRICYCLIC HETEROCYCLIC COMPOUND CBR3, CBR1, CYCS AADAT 3986/4885CACNA1G 1328/4885CACNA1B 454/4885
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound CBR3, CBR1, CYCS AADAT 4071/4885CACNA1G 1315/4885CACNA1B 467/4885

“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.