SCHEMBL14238197

SCHEMBL14238197

CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCOCCON1C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.45
▸ CA2 P00918 3/20 0.45
▸ CXCR3 P49682 5/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ SIRT5 Q9NXA8 1/20 0.41
▸ KLK7 P49862 1/20 0.41
▸ KLK5 Q9Y337 1/20 0.41
▸ PSMB8 P28062 1/20 0.40
▸ PSMB9 P28065 1/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL26265633 1.00 CA1 (0.45) CA1CA2CXCR3AKT1GAA
SCHEMBL22536411 0.92 TLR2 (0.45) CA1CA2CXCR3AKT1GAA
SCHEMBL23921370 0.90 SIRT5 (0.44) CXCR3AKT1SIRT5
SCHEMBL23790802 0.88 AKT1 (0.42) AKT1GAACTSSCTSKALDH1A1
SCHEMBL23921371 0.86 BCHE (0.39) CA1CA2CXCR3AKT1SIRT5
SCHEMBL25719625 0.86 GAA (0.58) CA1CA2GAAALDH1A1
SCHEMBL21792191 0.84 ALDH1A1 (0.47) CXCR3GAACTSKSIRT5KLK7
SCHEMBL19543629 0.82 CTSS (0.53) CA1CA2CXCR3GAACTSS
SCHEMBL8752938 0.80 TPSAB1 (0.51) CA1CA2GAA
SCHEMBL23921368 0.80 KLK7 (0.42) CXCR3GAASIRT5KLK7KLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220033518-A1 PROSTATE-SPECIFIC MEMBRANE ANTIGEN ANTIBODY DRUG CONJUGATES AMBRX,INC. (US) 2022-02-03 — — US disclosed
US-10954270-B2 Compositions containing, methods involving, and uses of non-natural amino acid linked dolastatin derivatives AMBRX, INC. (US) 2021-03-23 — — US disclosed
EP-3470413-A2 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACID LINKED DOLASTATIN DERIVATIVES Ambrx, Inc. (US) 2019-04-17 — — EP disclosed
US-10208123-B2 Anti-CD70 antibody drug conjugates AMBRX, INC. (US) 2019-02-19 — — US disclosed
US-9796754-B2 Compositions containing, methods involving, and uses of non-natural amino acid linked dolastatin derivatives AMBRX, INC. (US) 2017-10-24 — — US disclosed
US-20150152190-A1 Prostate-Specific Membrane Antigen Antibody Drug Conjugates AMBRX, INC. (US) 2015-06-04 — — US disclosed
US-20150152190-A1 Prostate-Specific Membrane Antigen Antibody Drug Conjugates AMBRX, INC. (US) 2015-06-04 — — US disclosed
US-20150141624-A1 Anti-CD70 Antibody Drug Conjugates AMBRX, INC. (US) 2015-05-21 — — US disclosed
US-20150141624-A1 Anti-CD70 Antibody Drug Conjugates AMBRX, INC. (US) 2015-05-21 — — US disclosed
WO-2012166560-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACID LINKED DOLASTATIN DERIVATIVES AMBRX, INC. (US) 2012-12-06 — — 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 (5 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-20150141624-A1 Anti-CD70 Antibody Drug Conjugates CD74, CD63, CD47 CA1 3116/4885CA2 3077/4885CXCR3 912/4885
US-10208123-B2 Anti-CD70 antibody drug conjugates CD74, CD63, CD47 CA1 3116/4885CA2 3077/4885CXCR3 912/4885
US-10954270-B2 Compositions containing, methods involving, and uses of non-natural amino acid linked dolastatin derivatives DDOST, DAD1, PTMS CA1 2978/4885CA2 1437/4885CXCR3 3395/4885
US-20220033518-A1 PROSTATE-SPECIFIC MEMBRANE ANTIGEN ANTIBODY DRUG CONJUGATES KLK3, PTMS, DDOST CA1 827/4885CA2 606/4885CXCR3 2733/4885
US-20150152190-A1 Prostate-Specific Membrane Antigen Antibody Drug Conjugates KLK3, PTMS, DDOST CA1 827/4885CA2 606/4885CXCR3 2733/4885

“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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