SCHEMBL23921368

SCHEMBL23921368

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCON1C(=O)c2ccccc2C1=O)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 2/20 0.42
▸ KLK5 Q9Y337 2/20 0.42
▸ BCHE P06276 2/20 0.40
▸ ACHE P22303 2/20 0.40
▸ TGM2 P21980 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TLR2 O60603 1/20 0.36
▸ TLR1 Q15399 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TPSAB1 Q15661 1/20 0.36
▸ TPSD1 Q9BZJ3 1/20 0.36
▸ TPSG1 Q9NRR2 1/20 0.36
▸ CXCR3 P49682 2/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.36

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
SCHEMBL23921371 0.90 BCHE (0.39) KLK7KLK5BCHEACHETGM2
SCHEMBL21792191 0.88 ALDH1A1 (0.47) KLK7KLK5BCHEACHETGM2
SCHEMBL23921370 0.84 SIRT5 (0.44) BCHEACHECXCR3SIRT5
SCHEMBL14238197 0.80 CA1 (0.45) KLK7KLK5GAAALDH1A1TSHR
SCHEMBL26265633 0.80 CA1 (0.45) KLK7KLK5GAAALDH1A1TSHR
SCHEMBL9931542 0.79 TDP1 (0.48) KLK7KLK5GAATDP1
SCHEMBL3754005 0.79 TDP1 (0.48) KLK7KLK5GAATDP1
SCHEMBL29400712 0.79 TDP1 (0.48) KLK7KLK5GAATDP1
SCHEMBL3661274 0.78 HDAC8 (0.42) KLK7KLK5BCHEACHETGM2
SCHEMBL3661271 0.78 HDAC8 (0.42) KLK7KLK5BCHEACHETGM2

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-20210317213-A1 Anti-CD3 Antibody Folate Bioconjugates and Their Uses AMBRX, INC. (US) 2021-10-14 — — 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-20210317213-A1 Anti-CD3 Antibody Folate Bioconjugates and Their Uses FOLR2, FOLR1, CD2 KLK7 3624/4885KLK5 4470/4885BCHE 1120/4885

“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.

Send feedback