SCHEMBL5658170

SCHEMBL5658170

CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.38
AKT1 P31749 2/20 0.37
RIPK1 Q13546 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
KCNH2 Q12809 3/20 0.35
HTR2A P28223 2/20 0.35
ADRA1A P35348 2/20 0.35
OPRK1 P41145 2/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 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
SCHEMBL18810468 1.00 USP2 (0.38) USP2AKT1RIPK1MEN1KMT2A
SCHEMBL18522980 1.00 USP2 (0.38) USP2AKT1RIPK1MEN1KMT2A
SCHEMBL24837376 0.91 RIPK1 (0.38) RIPK1MEN1KMT2AKCNH2HTR2A
SCHEMBL5559510 0.90 AKT1 (0.39) USP2AKT1RIPK1MEN1KMT2A
SCHEMBL21866479 0.86 MEN1 (0.41) RIPK1MEN1KMT2AKCNH2HTR2A
SCHEMBL16197369 0.86 MEN1 (0.41) RIPK1MEN1KMT2AKCNH2HTR2A
SCHEMBL5565367 0.85 RIPK1 (0.41) USP2AKT1RIPK1MEN1KMT2A
SCHEMBL21964237 0.84 MEN1 (0.33) USP2RIPK1MEN1KMT2AKCNH2
SCHEMBL17480086 0.83 ABCB1 (0.48) MEN1KMT2ACTSLCTSBCTSS
SCHEMBL25721687 0.83 ABCB1 (0.48) MEN1KMT2ACTSLCTSBCTSS

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002316-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2023-01-05 US disclosed
EP-3607996-B1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PF MEDICAMENT (FR) 2023-01-04 EP disclosed
US-11517625-B2 Antibody-drug-conjugate and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2022-12-06 US disclosed
EP-3388427-B1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PF MEDICAMENT (FR) 2022-01-19 EP disclosed
US-11219693-B2 Antibody-drug-conjugate and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2022-01-11 US disclosed
CN-108650882-B Compositions for treating cancers expressing IGF-1R 皮埃尔法布雷医药公司 2021-09-17 CN disclosed
US-20210107868-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2021-04-15 US disclosed
US-20210038738-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2021-02-11 US disclosed
US-10912841-B2 Antibody-drug-conjugate and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2021-02-09 US disclosed
US-10858423-B2 Composition for the treatment of IGF-1R expressing cancer PIERRE FABRE MEDICAMENT (FR) 2020-12-08 US disclosed
US-20160068567-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2016-03-10 US disclosed
WO-2015162291-A1 IGF-1R ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2015-10-29 WO disclosed
WO-2015162293-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2015-10-29 WO disclosed
WO-2014174062-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2014-10-30 WO disclosed
WO-2014174064-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2014-10-30 WO disclosed
WO-2014174060-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2014-10-30 WO disclosed
US-7312343-B2 N-benzyl-protected dialkyl acetal derivatives undergo desired aldol reaction with high diastereoselectivity using a Mukaiyama aldol reaction; intermediates in the synthesis of other products, including, e.g. Dolastatin 10 HOFFMANN-LA ROCHE INC. (US) 2007-12-25 US disclosed
US-7312343-B2 N-benzyl-protected dialkyl acetal derivatives undergo desired aldol reaction with high diastereoselectivity using a Mukaiyama aldol reaction; intermediates in the synthesis of other products, including, e.g. Dolastatin 10 HOFFMANN-LA ROCHE INC. (US) 2007-12-25 US disclosed
US-7312343-B2 N-benzyl-protected dialkyl acetal derivatives undergo desired aldol reaction with high diastereoselectivity using a Mukaiyama aldol reaction; intermediates in the synthesis of other products, including, e.g. Dolastatin 10 HOFFMANN-LA ROCHE INC. (US) 2007-12-25 US disclosed
US-20050272665-A1 Synthesis of alpha-amino-beta-alkoxy-carboxylic acid esters F. HOFFMANN-LA ROCHE AG (CH) 2005-12-08 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 (9 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-10858423-B2 Composition for the treatment of IGF-1R expressing cancer IGF1R, IGFBP1, IGFBP5 USP2 2914/4885AKT1 2065/4885RIPK1 3597/4885
US-10912841-B2 Antibody-drug-conjugate and its use for the treatment of cancer DDOST, DAD1, KRTCAP2 USP2 4366/4885AKT1 4463/4885RIPK1 1790/4885
US-11517625-B2 Antibody-drug-conjugate and its use for the treatment of cancer DDOST, DAD1, KRTCAP2 USP2 4366/4885AKT1 4463/4885RIPK1 1790/4885
US-20230002316-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS NR1H4, HCAR3, VDR USP2 4825/4885AKT1 3484/4885RIPK1 2023/4885
US-11219693-B2 Antibody-drug-conjugate and its use for the treatment of cancer DAD1, DDOST, KRTCAP2 USP2 4716/4885AKT1 4367/4885RIPK1 1930/4885
US-20160068567-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS CDK10, AURKC, AURKA USP2 4853/4885AKT1 3071/4885RIPK1 1515/4885
US-20210038738-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER DDOST, DAD1, KRTCAP2 USP2 4482/4885AKT1 4491/4885RIPK1 1697/4885
US-20050272665-A1 Synthesis of alpha-amino-beta-alkoxy-carboxylic acid esters ALDH7A1, BCAT1, BCAT2 USP2 3402/4885AKT1 1628/4885RIPK1 4856/4885
US-20210107868-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS NR1H4, HCAR3, VDR USP2 4825/4885AKT1 3484/4885RIPK1 2023/4885

“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.