SCHEMBL22314188

SCHEMBL22314188

CCC(=O)OCc1ccc(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCOCCOCCOCCOCCNC(=O)CCN2C(=O)C=CC2=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA14 Q9ULX7 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ BLM P54132 1/20 0.32

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
SCHEMBL27432927 0.94 NR3C1 (0.35) CA12CA1CA2CA4CA9
SCHEMBL23789199 0.92 CA12 (0.34) CA12CA1CA2CA4CA9
SCHEMBL19705582 0.92 CA12 (0.34) CA12CA1CA2CA4CA9
SCHEMBL17722949 0.92 CA12 (0.34) CA12CA1CA2CA4CA9
SCHEMBL17815411 0.92 CA12 (0.34) CA12CA1CA2CA4CA9
SCHEMBL18909059 0.92 CA12 (0.34) CA12CA1CA2CA4CA9
SCHEMBL21275962 0.91 CA12 (0.33) CA12CA1CA2CA4CA9
SCHEMBL21008369 0.91 CA12 (0.33) CA12CA1CA2CA4CA9
SCHEMBL18910925 0.90 CA12 (0.33) CA12CA1CA2CA4CA9
SCHEMBL19046496 0.90 CA12 (0.33) CA12CA1CA2CA4CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210115109-A1 CONJUGATES AND METHODS OF USE THEREOF FOR SELECTIVE DELIVERY OF IMMUNE-MODULATORY AGENTS SILVERBACK THERAPEUTICS, INC. 2021-04-22 — — US disclosed
US-20200246323-A1 Antibody Drug Conjugates with Cell Permeable BCL-XL Inhibitors ABBVIE INC. (US) 2020-08-06 — — 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 (2 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-20210115109-A1 CONJUGATES AND METHODS OF USE THEREOF FOR SELECTIVE DELIVERY OF IMMUNE-MODULATORY AGENTS CD74, CD47, MSR1 CA12 746/4885CA1 3181/4885CA2 3925/4885
US-20200246323-A1 Antibody Drug Conjugates with Cell Permeable BCL-XL Inhibitors BCL2, BCL2L10, BAX CA12 2585/4885CA1 2981/4885CA2 3812/4885

“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.

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