SCHEMBL16856591

SCHEMBL16856591

CC(C)(C)OC(=O)Nc1cccc(C[C@H](N)CO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
RPS6KB1 P23443 1/20 0.47
SLC7A5 Q01650 1/20 0.45
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
NPY1R P25929 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL20204195 1.00 AURKA (0.47) AURKARPS6KB1SLC7A5NOS3NOS1
Trifluoroacetic Acid SCHEMBL29643011 0.94 PDK1 (0.46) AURKARPS6KB1SLC7A5NOS3NOS1
SCHEMBL20215005 0.90 AURKA (0.47) AURKARPS6KB1SLC7A5NOS3NOS1
SCHEMBL20204198 0.88 AURKA (0.46) AURKARPS6KB1SLC7A5NOS3NOS1
SCHEMBL18179951 0.88 AURKA (0.46) AURKARPS6KB1SLC7A5NOS3NOS1
SCHEMBL20204187 0.85 CYP17A1 (0.53) AURKARPS6KB1HDAC1HDAC3HDAC8
SCHEMBL16856562 0.85 CYP17A1 (0.53) AURKARPS6KB1HDAC1HDAC3HDAC8
SCHEMBL3050840 0.85 SLC7A5 (0.64) AURKARPS6KB1SLC7A5NOS3NOS1
SCHEMBL2367233 0.85 SLC7A5 (0.64) AURKARPS6KB1SLC7A5NOS3NOS1
SCHEMBL2367419 0.84 SLC7A5 (0.50) AURKARPS6KB1SLC7A5NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240352122-A1 ANTI-CD48 ANTIBODIES, ANTIBODY DRUG CONJUGATES, AND USES THEREOF NOVARTIS AG (CH) 2024-10-24 US disclosed
US-11999786-B2 Anti-CD48 antibodies, antibody drug conjugates, and uses thereof NOVARTIS AG (CH) 2024-06-04 US disclosed
EP-4251648-A2 ANTI-CD48 ANTIBODIES, ANTIBODY DRUG CONJUGATES, AND USES THEREOF Novartis AG (CH) 2023-10-04 EP disclosed
WO-2022112942-A2 ANTI-CD48 ANTIBODIES, ANTIBODY DRUG CONJUGATES, AND USES THEREOF NOVARTIS AG (CH) 2022-06-02 WO disclosed
US-20220162308-A1 ANTI-CD48 ANTIBODIES, ANTIBODY DRUG CONJUGATES, AND USES THEREOF NOVARTIS AG (CH) 2022-05-26 US disclosed
US-20220162308-A1 ANTI-CD48 ANTIBODIES, ANTIBODY DRUG CONJUGATES, AND USES THEREOF NOVARTIS AG (CH) 2022-05-26 US disclosed
US-20210228731-A1 ANTIBODY DRUG CONJUGATES FOR ABLATING HEMATOPOIETIC STEM CELLS NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC. 2021-07-29 US disclosed
EP-3753578-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF Novartis AG (CH) 2020-12-23 EP disclosed
US-10787480-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2020-09-29 US disclosed
US-10392421-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-08-27 US disclosed
US-20190194315-A1 ANTIBODY DRUG CONJUGATES NOVARTIS AG (CH) 2019-06-27 US disclosed
CN-106573956-A Auristatin derivatives and conjugates thereof 诺华股份有限公司 2017-04-19 CN disclosed
CN-105899526-A Cytotoxic peptides and conjugates thereof 诺华股份有限公司 2016-08-24 CN disclosed
WO-2015095301-A2 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF IRM LLC (BM) 2015-06-25 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 (7 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-11999786-B2 Anti-CD48 antibodies, antibody drug conjugates, and uses thereof ITGB8, ITGA8, CD4 AURKA 1956/4885RPS6KB1 3097/4885SLC7A5 1560/4885
US-20240352122-A1 ANTI-CD48 ANTIBODIES, ANTIBODY DRUG CONJUGATES, AND USES THEREOF ITGB8, ITGA8, CD4 AURKA 1956/4885RPS6KB1 3097/4885SLC7A5 1560/4885
US-10787480-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP AURKA 1051/4885RPS6KB1 1951/4885SLC7A5 1264/4885
US-20190194315-A1 ANTIBODY DRUG CONJUGATES EPCAM, CDH1, VIM AURKA 61/4885RPS6KB1 3800/4885SLC7A5 1083/4885
US-10392421-B2 Cytotoxic peptides and conjugates thereof CD47, NGLY1, VIP AURKA 1051/4885RPS6KB1 1951/4885SLC7A5 1264/4885
US-20210228731-A1 ANTIBODY DRUG CONJUGATES FOR ABLATING HEMATOPOIETIC STEM CELLS BCR, ABL1, CD47 AURKA 208/4885RPS6KB1 3679/4885SLC7A5 3020/4885
US-20220162308-A1 ANTI-CD48 ANTIBODIES, ANTIBODY DRUG CONJUGATES, AND USES THEREOF ITGB8, ITGA8, CD4 AURKA 1956/4885RPS6KB1 3097/4885SLC7A5 1560/4885

“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.