SCHEMBL4872785

SCHEMBL4872785

CC1CCCN1C(=O)Cn1c(-c2ccc(-c3cccc(OC(F)(F)F)c3)cc2)c(-c2ccccc2)c2sc(C(=O)O)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 6/20 0.38
KLK7 P49862 1/20 0.37
GHSR Q92847 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MCHR1 Q99705 1/20 0.36
SERPINE1 P05121 1/20 0.36
USP30 Q70CQ3 1/20 0.36
PTGES O14684 1/20 0.36
MGLL Q99685 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
SLC2A1 P11166 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
SCHEMBL4872774 0.90 GHSR (0.35) CFDGHSRHCRTR1HCRTR2MCHR1
SCHEMBL4875109 0.84 PTGES (0.43) SERPINE1PTGESMGLL
SCHEMBL4877811 0.79 MAPK1 (0.37) MAPK1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4876396 0.77 KCNH2 (0.36) HCRTR1HCRTR2MAPK1KMT2A
SCHEMBL4875093 0.77 SLC13A5 (0.40) MCHR1
SCHEMBL4878281 0.76 KCNH2 (0.37) MAPK1
SCHEMBL4876066 0.76 KCNH2 (0.39) MAPK1
SCHEMBL4865037 0.75 KCNH2 (0.37) MAPK1
SCHEMBL4877504 0.74 KCNH2 (0.38) HCRTR1HCRTR2MAPK1
SCHEMBL4867012 0.74 ACHE (0.36) MCHR1MGLLCYP2C9

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-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 CFD 2886/4885KLK7 4349/4885GHSR 4484/4885

“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.