SCHEMBL4872774

SCHEMBL4872774

CC1CCCN1C(=O)Cn1c(-c2ccc(-c3cccc(OC(F)(F)F)c3)cc2)c(C2CCCCC2)c2sc(C(=O)O)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
EPHX2 P34913 1/20 0.35
DHODH Q02127 3/20 0.35
MCHR1 Q99705 1/20 0.35
USP30 Q70CQ3 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.34
SLC13A5 Q86YT5 1/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 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
SCHEMBL4872785 0.90 CFD (0.38) GHSREPHX2MCHR1USP30DGAT2
SCHEMBL4875093 0.88 SLC13A5 (0.40) NR1H4DHODHMCHR1SLC13A5
SCHEMBL14311450 0.82 TLR8 (0.35)
SCHEMBL4877805 0.79 TLR9 (0.36) MAPK1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4874811 0.78 POLB (0.38) TSHRTP53
SCHEMBL4878273 0.78 KCNH2 (0.34) MAPK1TSHRHPGDMAPTHCRTR1
SCHEMBL4877910 0.77 ALOX5AP (0.36) DHODHHCRTR1HCRTR2
SCHEMBL4876386 0.77 MAPT (0.35) MAPK1KMT2ATSHRTP53HPGD
SCHEMBL4867002 0.76 IRAK4 (0.35) MCHR1CYP2D6CYP2C19KMT2ATSHR
SCHEMBL4876060 0.76 ALDH1A1 (0.40) DHODHMAPK1KMT2ATSHRNPC1

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-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
US-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 US disclosed
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 GHSR 4484/4885NR1H4 2044/4885EPHX2 3418/4885

“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.