SCHEMBL18337983

SCHEMBL18337983

C[S+]([O-])c1nc2c(=O)n(CC3CCN(C(=O)OC(C)(C)C)C3)c(C(F)(F)F)nc2s1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 4/20 0.39
RORC P51449 1/20 0.38
FEN1 P39748 1/20 0.38
NR1D1 P20393 1/20 0.34
BACE1 P56817 3/20 0.34
USP7 Q93009 1/20 0.34
GLS O94925 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
PIK3CD O00329 2/20 0.33
ACKR3 P25106 1/20 0.33
CTSD P07339 1/20 0.33

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
SCHEMBL18336217 0.95 RORC (0.42) AADATRORCBACE1USP7GLS
SCHEMBL18336239 0.85 AADAT (0.40) AADATRORCFEN1NR1D1USP7
SCHEMBL18336100 0.84 AADAT (0.37) AADATNR1D1BACE1CTSD
SCHEMBL18337890 0.84 AADAT (0.37) AADATNR1D1BACE1CTSD
SCHEMBL18335774 0.83 PDE8B (0.38) AADAT
SCHEMBL18335814 0.80 AADAT (0.43) AADATRORCBACE1USP7GLS
SCHEMBL18337043 0.75 AADAT (0.38) AADAT
SCHEMBL18337642 0.74 AADAT (0.77) AADAT
SCHEMBL18335866 0.72 AADAT (0.31) AADAT
SCHEMBL18336324 0.70 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 3986/4885RORC 1057/4885FEN1 4508/4885
US-10065972-B2 Bicyclic or tricyclic heterocyclic compound CBR3, CBR1, CYCS AADAT 4071/4885RORC 924/4885FEN1 4545/4885

“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.