SCHEMBL3728829

SCHEMBL3728829

CC(C)(C)OC(=O)NCCCCC(N)C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
GAA P10253 1/20 0.58
TDP1 Q9NUW8 6/20 0.57
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
CA1 P00915 8/20 0.51
CA2 P00918 8/20 0.51
CA12 O43570 6/20 0.51
CA9 Q16790 6/20 0.51
ATM Q13315 2/20 0.47
NPSR1 Q6W5P4 4/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41

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
SCHEMBL1429864 1.00 KMT2A (0.58) KMT2AMEN1GAATDP1MAOA
SCHEMBL30860183 1.00 KMT2A (0.58) KMT2AMEN1GAATDP1MAOA
Hydrochloric Acid SCHEMBL3725011 0.98 KMT2A (0.56) KMT2AMEN1GAATDP1MAOA
Hydrochloric Acid SCHEMBL6433204 0.98 KMT2A (0.56) KMT2AMEN1GAATDP1MAOA
Hydrochloric Acid SCHEMBL2216656 0.98 KMT2A (0.56) KMT2AMEN1GAATDP1MAOA
SCHEMBL601838 0.95 MEN1 (0.64) KMT2AMEN1GAATDP1MAOA
SCHEMBL601839 0.95 MEN1 (0.64) KMT2AMEN1GAATDP1MAOA
SCHEMBL31634885 0.94 MAOA (0.59) KMT2AMEN1GAATDP1MAOA
SCHEMBL138402 0.92 MEN1 (0.56) KMT2AMEN1GAATDP1MAOA
SCHEMBL2247530 0.92 MEN1 (0.56) KMT2AMEN1GAATDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-12 US disclosed
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-01-05 US disclosed
US-11311653-B2 Central venous catheter, preparation method therefor and medical device comprising same JIANGSU BIOSURF BIOTECH CO., LTD. (CN) 2022-04-26 US disclosed
US-20210393790-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-12-23 US disclosed
US-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2021-12-02 US disclosed
WO-2021202600-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-07 WO disclosed
US-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-03-05 US disclosed
EP-3606922-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE Hangzhou Dac Biotech Co., Ltd (CN) 2020-02-12 EP disclosed
WO-2018185526-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD (CN) 2018-10-11 WO disclosed
US-8338565-B2 Macrocyclic compounds for inhibition of tumor necrosis factor alpha ENSEMBLE THERAPEUTICS CORPORATION (US) 2012-12-25 US disclosed
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA ENSEMBLE THERAPEUTICS CORPORATION 2010-06-17 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 (6 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-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 KMT2A 1972/4885MEN1 106/4885GAA 1488/4885
US-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 KMT2A 1972/4885MEN1 106/4885GAA 1488/4885
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 KMT2A 1972/4885MEN1 106/4885GAA 1488/4885
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP DAO, DDO, DCLRE1A KMT2A 973/4885MEN1 2619/4885GAA 2513/4885
US-20210393790-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 KMT2A 1972/4885MEN1 106/4885GAA 1488/4885
US-20100152099-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF TUMOR NECROSIS FACTOR ALPHA TNF, CD40, TNFRSF1A KMT2A 4176/4885MEN1 1631/4885GAA 1731/4885

“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.