SCHEMBL18199342

SCHEMBL18199342

CSC(=NS(=O)(=O)C(F)(F)F)SC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.50
PRSS1 P07477 2/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL18199343 0.77 F2 (0.58) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL21661932 0.72 F2 (0.56) F2PRSS1PRSS2PRSS3
SCHEMBL1857920 0.69 KDM4E (0.45) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL10331920 0.68 F2 (0.65) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL10864671 0.67 KDM4E (0.43) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL183325 0.67 F2 (1.00) F2PRSS1PRSS2PRSS3KDM4E
SCHEMBL22490111 0.67 F2 (0.50) F2PRSS1PRSS2PRSS3
SCHEMBL14165295 0.67 F2 (0.52) F2PRSS1PRSS2PRSS3
SCHEMBL30830443 0.65 F2 (0.61) F2PRSS1PRSS2PRSS3
SCHEMBL20653206 0.65 KDM4E (0.42) KDM4EALDH1A1LMNAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745274-B2 Compound, organic cation transporter 3 detection agent, and organic cation transporter 3 activity inhibitor SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2017-08-29 US disclosed
US-20160318886-A1 Novel Compound, Organic Cation Transporter 3 Detection Agent, And Organic Cation Transporter 3 Activity Inhibitor SHIN NIPPON BIOMEDICAL LABORATORIES, LTD. (JP) 2016-11-03 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-20160318886-A1 Novel Compound, Organic Cation Transporter 3 Detection Agent, And Organic Cation Transporter 3 Activity Inhibitor SLCO1B3, SLC22A8, SLC10A6 F2 4685/4885PRSS1 1126/4885PRSS2 1719/4885

“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.