SCHEMBL21792191

SCHEMBL21792191

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ RRM1 P23921 1/20 0.44
▸ GAA P10253 1/20 0.41
▸ ACE P12821 2/20 0.41
▸ CTSK P43235 2/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.40
▸ KLK7 P49862 1/20 0.40
▸ KLK5 Q9Y337 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ TGM2 P21980 1/20 0.40
▸ PPARA Q07869 2/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ CXCR3 P49682 2/20 0.39
▸ ALB P02768 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ PPARG P37231 1/20 0.38

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
SCHEMBL23921370 0.90 SIRT5 (0.44) SIRT5BCHEACHECXCR3SIRT2
SCHEMBL23921368 0.88 KLK7 (0.42) ALDH1A1TSHRGAASIRT5KLK7
SCHEMBL14238197 0.84 CA1 (0.45) ALDH1A1TSHRGAACTSKSIRT5
SCHEMBL26265633 0.84 CA1 (0.45) ALDH1A1TSHRGAACTSKSIRT5
SCHEMBL23921371 0.84 BCHE (0.39) SIRT5KLK7KLK5BCHEACHE
SCHEMBL30852794 0.82 RRM1 (0.44) RRM1ALB
SCHEMBL21713192 0.80 CAPN1 (0.46) ALDH1A1TSHRGAACTSKSIRT5
SCHEMBL31045346 0.80 CAPN1 (0.46) ALDH1A1TSHRGAACTSKSIRT5
SCHEMBL21713193 0.80 CAPN1 (0.46) ALDH1A1TSHRGAACTSKSIRT5
SCHEMBL27150954 0.80 CAPN1 (0.46) ALDH1A1TSHRGAACTSKSIRT5

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-20210317213-A1 Anti-CD3 Antibody Folate Bioconjugates and Their Uses AMBRX, INC. (US) 2021-10-14 — — US disclosed
WO-2020047176-A1 ANTI-CD3 ANTIBODY FOLATE BIOCONJUGATES AND THEIR USES AMBRX, INC. (US) 2020-03-05 — — WO 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 ALDH1A1 2499/4885TSHR 1044/4885RRM1 1994/4885

“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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