SCHEMBL26034291

SCHEMBL26034291

CC(=O)NCCSC(=O)CCCCCCC[N+](C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ADRA1A P35348 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
ZDHHC7 Q9NXF8 1/20 0.41
ACHE P22303 4/20 0.40
CYP2C19 P33261 1/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38
PAOX Q6QHF9 2/20 0.37
MEN1 O00255 2/20 0.35
NFKB1 P19838 2/20 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
SCHEMBL5088794 0.81 ZDHHC7 (0.59) TSHRADRA1AALDH1A1KDM4EMAPK1
SCHEMBL23922522 0.80 TSHR (0.60) TSHRADRA1AALDH1A1KDM4EMAPK1
SCHEMBL22431364 0.80 PAOX (0.61) TSHRADRA1AALDH1A1KDM4EMAPK1
SCHEMBL15241525 0.78 ZDHHC7 (0.54) TSHRADRA1AALDH1A1KDM4EMAPK1
SCHEMBL19192288 0.77 KDM4E (0.65) TSHRADRA1AALDH1A1KDM4EMAPK1
SCHEMBL16260817 0.75 TSHR (0.54) TSHRADRA1AALDH1A1KDM4EMAPK1
SCHEMBL18734790 0.74 TSHR (0.62) TSHRADRA1AALDH1A1KDM4EMAPK1
SCHEMBL16353072 0.74 CYP2C19 (0.60) TSHRADRA1AKDM4EACHECYP2C19
SCHEMBL8763339 0.74 KDM4E (0.61) TSHRADRA1AALDH1A1KDM4EMAPK1
SCHEMBL17164980 0.74 ADRA1A (0.55) TSHRADRA1AALDH1A1KDM4EMAPK1

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-11739122-B2 Glycopeptide antibiotic compounds, methods for producing the same, and uses thereof ACADEMIA SINICA (TW) 2023-08-29 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-11739122-B2 Glycopeptide antibiotic compounds, methods for producing the same, and uses thereof NGLY1, NRDC, MGAT3 TSHR 291/4885ADRA1A 3767/4885ALDH1A1 3782/4885

“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.