SCHEMBL4876431

SCHEMBL4876431

O=C(O)c1cc2c(s1)c(-c1ccccc1)c(-c1ccc3nc(-c4ccc(F)cc4)ccc3c1)n2CC(=O)N1CC[S+]([O-])CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
GRIN2B Q13224 3/20 0.33
MAPT P10636 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DHODH Q02127 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL4865005 0.87 KDM4E (0.36) GRM5GRIN2BKDM4ESMN1; SMN2
SCHEMBL4877246 0.87 KCNH2 (0.34) GRM5GRIN2BLMNA
SCHEMBL4876422 0.87 HRH1 (0.34) RIPK3ALDH1A1PKMGRIN2BKMT2A
SCHEMBL4877296 0.86 GAA (0.40) RIPK3ALDH1A1PKMGRIN2BMAPT
SCHEMBL4868402 0.85 CBX7 (0.42) GRM5ALDH1A1PKMGRIN2BMAPT
SCHEMBL4874611 0.84 MKNK2 (0.37) RIPK3ALDH1A1GRIN2BMAPTMEN1
SCHEMBL4868476 0.83 GRIN2B (0.40) GRM5ALDH1A1GRIN2BMAPTMEN1
SCHEMBL4877153 0.83 GRIN2B (0.40) RIPK3GRIN2BMAPT
SCHEMBL4876066 0.83 KCNH2 (0.39) ALDH1A1MAPTKDM4EUSP2TP53
SCHEMBL4868467 0.82 KDM4E (0.44) ALDH1A1GRIN2BMAPTMEN1KMT2A

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 GRM5 4042/4885RIPK3 1483/4885ALDH1A1 1357/4885

“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.