SCHEMBL3794407

SCHEMBL3794407

CCC(=O)C1=CC(=O)NC1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.35
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
PTGS1 P23219 1/20 0.32
DRD3 P35462 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL22468788 0.80 HSD17B3 (0.42) MEN1KMT2AMAPTALDH1A1ATM
Aspartic Acid SCHEMBL3415384 0.80 GRIK1 (0.35)
SCHEMBL8909319 0.79
SCHEMBL27677726 0.78 HSD17B3 (0.44) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL27524908 0.78 HSD17B3 (0.44) MEN1KMT2ATSHRMAPTALDH1A1
SCHEMBL28229004 0.76 KMT2A (0.31) KMT2A
SCHEMBL2027730 0.75 ALDH1A1 (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1HPGD
SCHEMBL28616609 0.73 KDM4E (0.30) KDM4EALDH1A1
SCHEMBL347103 0.73 LDHA (0.32) SMN1; SMN2
SCHEMBL6022461 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216420-A1 HYDROPHOBIC AURISTATIN F COMPOUNDS AND CONJUGATES THEREOF SEAGEN INC (US) 2024-07-04 US disclosed
CN-111569086-B Methylene carbamate linkers for use with target-drug conjugates 西雅图基因公司 2024-06-21 CN disclosed
CN-111558049-B Methylene carbamate linkers for use with target-drug conjugates 西雅图基因公司 2024-06-21 CN disclosed
US-11857565-B2 Hydrophobic Auristatin F compounds and conjugates thereof SEAGEN INC. (US) 2024-01-02 US disclosed
EP-4212181-A2 METHYLENE CARBAMATE LINKERS FOR USE WITH TARGETED-DRUG CONJUGATES Seagen Inc. (US) 2023-07-19 EP disclosed
US-20230033133-A1 VACCINE CONJUGATES ULTIMOVACS AB (SE) 2023-02-02 US disclosed
EP-4069283-A1 VACCINE CONJUGATES Ultimovacs AB (SE) 2022-10-12 EP disclosed
CN-114901305-A Vaccine conjugates 乌尔蒂莫瓦科斯公司 2022-08-12 CN disclosed
US-20220054650-A1 Methylene Carbamate Linkers for use with Targeted-Drug Conjugates SEATTLE GENETICS, INC. 2022-02-24 US disclosed
US-11116847-B2 Methylene carbamate linkers for use with targeted-drug conjugates SEAGEN INC. (US) 2021-09-14 US disclosed
WO-2015095755-A1 METHYLENE CARBAMATE LINKERS FOR USE WITH TARGETED-DRUG CONJUGATES SEATTLE GENETICS, INC. (US) 2015-06-25 WO disclosed
US-20100297025-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET. 2010-11-25 US disclosed
US-7780953-B2 Compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET (FR) 2010-08-24 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7589204-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-09-15 US disclosed
US-7569579-B2 for inhibition of HIV replication and treatment of acquired immune deficiency syndrome SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 US disclosed
US-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS AQUINO CHRISTOPHER JOSEPH 2009-02-26 US disclosed
US-7452992-B2 inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS); 1-((1R,5S)-8-{2-[3-(2,2-dimethylpropanoyl)-6-phenyl-1,3-oxazinan-6-yl]ethyl}-8-azabicyclo[3.2.1]oct-3-yl)-2-methyl-1H-benzimidazole SMITHKLINE BEECHAM CORPORATION (US) 2008-11-18 US disclosed
US-20040253181-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives GUERBET (FR) 2004-12-16 US disclosed
WO-2001027628-A1 ANTIBIOTIC-METAL COMPLEXES IN THE DETECTION OF GRAM-NEGATIVE BACTERIA AND OTHER BIOLOGICAL ANALYTES OLSTEIN ALAN D (US) 2001-04-19 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-20090053172-A1 HETEROCYCLIC COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR1 CASP3 3642/4885MEN1 4508/4885CYP3A4 576/4885
US-20100297025-A1 Novel compositions magnetic particles covered with gem-bisphosphonate derivatives PHOSPHO1, SGMS2, PTEN CASP3 4055/4885MEN1 295/4885CYP3A4 4356/4885
US-11116847-B2 Methylene carbamate linkers for use with targeted-drug conjugates MCL1, BID, MTDH CASP3 6/4885MEN1 267/4885CYP3A4 1838/4885
US-11857565-B2 Hydrophobic Auristatin F compounds and conjugates thereof MSN, AURKA, AURKC CASP3 460/4885MEN1 948/4885CYP3A4 3276/4885
US-20230033133-A1 VACCINE CONJUGATES KLK3, CD4, CD74 CASP3 1395/4885MEN1 826/4885CYP3A4 4848/4885
US-20240216420-A1 HYDROPHOBIC AURISTATIN F COMPOUNDS AND CONJUGATES THEREOF MSN, AURKA, AURKC CASP3 460/4885MEN1 948/4885CYP3A4 3276/4885
US-20220054650-A1 Methylene Carbamate Linkers for use with Targeted-Drug Conjugates MCL1, BID, MTDH CASP3 6/4885MEN1 267/4885CYP3A4 1838/4885

“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.