SCHEMBL4876422

SCHEMBL4876422

O=C(O)c1cc2c(s1)c(C1CCCCC1)c(-c1ccc3nc(-c4ccc(F)cc4)ccc3c1)n2CC(=O)N1CC[S+]([O-])CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.34
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PKM P14618 1/20 0.33
GRIN2B Q13224 4/20 0.32
KDM4E B2RXH2 1/20 0.31
PDE5A O76074 1/20 0.31
RIPK3 Q9Y572 1/20 0.30
SMO Q99835 1/20 0.30

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
SCHEMBL4877285 0.89 MAPT (0.36) HRH1CYP2D6ALDH1A1GAAKMT2A
SCHEMBL14269777 0.88 SMN1; SMN2 (0.31) ALDH1A1GAAKMT2ASMN1; SMN2KDM4E
SCHEMBL4877264 0.88 KCNH2 (0.37) ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL4868392 0.87 CBX7 (0.40) HRH1CYP2D6ALDH1A1GAAKMT2A
SCHEMBL4876431 0.87 GRM5 (0.34) ALDH1A1KMT2ASMN1; SMN2PKMGRIN2B
SCHEMBL4868456 0.86 ALDH1A1 (0.39) ALDH1A1GAAKMT2ASMN1; SMN2GRIN2B
SCHEMBL4876060 0.85 ALDH1A1 (0.40) ALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL4868463 0.84 KMT2A (0.39) ALDH1A1GAAKMT2ASMN1; SMN2GRIN2B
SCHEMBL4877120 0.84 ALDH1A1 (0.34) ALDH1A1GAAKMT2ASMN1; SMN2GRIN2B
SCHEMBL4874058 0.84 ALDH1A1 (0.41) ALDH1A1GAAKMT2ASMN1; SMN2GRIN2B

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 HRH1 3900/4885CYP2D6 1327/4885ALDH1A1 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.