SCHEMBL18171829

SCHEMBL18171829

CN(C(=O)C(Cc1cc(F)cc(F)c1)NC(=O)O)c1ccc2sncc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 5/20 0.38
PYGL P06737 4/20 0.37
CDC7 O00311 1/20 0.35
PLK4 O00444 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
AXL P30530 1/20 0.35
CSNK1D P48730 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
RPS6KA3 P51812 1/20 0.35
CSNK2A1 P68400 1/20 0.35
PRKCD Q05655 1/20 0.35
PKN2 Q16513 1/20 0.35
CDC42BPA Q5VT25 1/20 0.35
PIM3 Q86V86 1/20 0.35

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
SCHEMBL19951483 0.88 CTSS (0.41) TRPM5
SCHEMBL18179939 0.85 TRPM5 (0.39) TRPM5CDC7PLK4AURKADAPK3
SCHEMBL19962083 0.84 PYGL (0.36) TRPM5PYGLPSEN1PSEN2APH1B
SCHEMBL19969188 0.84 PYGL (0.36) TRPM5PYGLPSEN1PSEN2APH1B
SCHEMBL18171816 0.84 MAPT (0.43) PYGL
SCHEMBL19951482 0.82 TRPM5 (0.35) TRPM5CDC7PLK4AURKADAPK3
SCHEMBL19951484 0.82 TRPM5 (0.35) TRPM5CDC7PLK4AURKADAPK3
SCHEMBL16670170 0.81 FFAR1 (0.34) PYGLKDM1AMAOACAPN1
SCHEMBL19962021 0.80 THRB (0.36) ROCK2
SCHEMBL19962032 0.79 PYGL (0.33) TRPM5PYGLPSEN1PSEN2APH1B

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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
EP-3286174-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-02-28 EP disclosed
WO-2016172425-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-10-27 WO 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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E TRPM5 4731/4885PYGL 498/4885CDC7 212/4885

“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.