SCHEMBL22916247

SCHEMBL22916247

CC1(NS(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(F)c(C#N)c3)c2F)COC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.42
▸ SLC10A1 Q14973 4/20 0.39
▸ LRRK2 Q5S007 1/20 0.38
▸ BACE1 P56817 6/20 0.38
▸ AKT1 P31749 1/20 0.35
▸ KIF18A Q8NI77 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ ABCC9 O60706 1/20 0.34
▸ ABCC8 Q09428 1/20 0.34
▸ KCNJ11 Q14654 1/20 0.34
▸ KCNJ8 Q15842 1/20 0.34
▸ EGLN2 Q96KS0 1/20 0.34

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
SCHEMBL15613075 0.94 GRM4 (0.40) GRM4SLC10A1LRRK2BACE1
SCHEMBL15612929 0.93 GRM4 (0.40) GRM4SLC10A1LRRK2BACE1AKT1
SCHEMBL15613006 0.93 GRM4 (0.42) GRM4SLC10A1LRRK2BACE1
SCHEMBL16236953 0.84 SLC10A1 (0.41) GRM4SLC10A1BACE1AKT1KIF18A
SCHEMBL15612928 0.82 HTR2B (0.41) KIF18ACA1CA2CA9
SCHEMBL15613089 0.82 IDH1 (0.42) —
SCHEMBL16257247 0.81 SLC10A1 (0.43) GRM4SLC10A1LRRK2BACE1AKT1
SCHEMBL16237229 0.81 GRM4 (0.41) GRM4SLC10A1BACE1AKT1EGLN2
SCHEMBL15612992 0.79 HTR2B (0.40) BACE1KIF18ACA1CA2CA9
SCHEMBL15613095 0.79 IDH1 (0.46) SLC10A1

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-20210024462-A1 SULFAMOYL-ARYLAMIDES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-01-28 — — 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-20210024462-A1 SULFAMOYL-ARYLAMIDES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B SULT2A1, HCCS, SULT1A1 GRM4 3624/4885SLC10A1 11/4885LRRK2 1437/4885

“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.

Send feedback