SCHEMBL24064973

SCHEMBL24064973

CC(C)C(=O)c1nnn(C(C)C)c1C(=O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.36
HCAR3 P49019 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
TOP2A P11388 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.32
TSHR P16473 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
SCHEMBL23901255 0.86 NPC1 (0.33) HPGDHCAR3HCAR2NPC1
SCHEMBL23482676 0.86 NPC1 (0.33) HPGDHCAR3HCAR2NPC1
SCHEMBL14262396 0.78 NPC1 (0.53) HPGDHCAR3HCAR2TOP2AALDH1A1
SCHEMBL25024096 0.77 HPGD (0.32) HPGDHCAR3HCAR2TOP2A
SCHEMBL20159610 0.76 HPGD (0.36) HPGDHCAR3HCAR2TOP2AALDH1A1
SCHEMBL23482739 0.74 NPC1 (0.39) HCAR3NPC1TSHR
SCHEMBL14262389 0.72 HTT (0.44) ALDH1A1CYP1A2SMN1; SMN2
SCHEMBL25062347 0.70 NPC1 (0.35) NPC1
SCHEMBL22044444 0.69 NPC1 (0.34) NPC1
SCHEMBL23894100 0.69 NPC1 (0.33) HPGDHCAR3HCAR2NPC1

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-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2024-01-16 US disclosed
US-20230241241-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-08-03 US disclosed
US-20230165931-A1 A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-06-01 US disclosed
US-20230165930-A1 CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-06-01 US disclosed
US-20230149502-A1 CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-05-18 US disclosed
US-20230115871-A1 A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD (CN) 2023-04-13 US disclosed
US-20230057350-A1 A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-02-23 US disclosed
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 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-20230165930-A1 CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS TEKT1, CD2BP2, TEK HPGD 4696/4885HCAR3 773/4885HCAR2 1634/4885
US-20230057350-A1 A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS BTN3A1, ANTXR2, CLTA HPGD 4664/4885HCAR3 475/4885HCAR2 1090/4885
US-20230165931-A1 A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS TEKT1, CD2BP2, CD4 HPGD 4693/4885HCAR3 768/4885HCAR2 1603/4885
US-20210369855-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 HPGD 4477/4885HCAR3 3410/4885HCAR2 1676/4885
US-20230001001-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 HPGD 4477/4885HCAR3 3410/4885HCAR2 1676/4885
US-11873281-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 HPGD 4839/4885HCAR3 2361/4885HCAR2 3644/4885
US-20230010108-A1 A CONJUGATION LINKER CONTAINING 2,3-DIAMINOSUCCINYL GROUP DAO, DDO, DCLRE1A HPGD 877/4885HCAR3 145/4885HCAR2 44/4885
US-20210393790-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 HPGD 4477/4885HCAR3 3410/4885HCAR2 1676/4885
US-20230115871-A1 A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS CD2BP2, EPCAM, CD74 HPGD 3960/4885HCAR3 1153/4885HCAR2 1238/4885
US-20230149502-A1 CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS TEKT1, CD2BP2, TEK HPGD 4696/4885HCAR3 773/4885HCAR2 1634/4885
US-20230241241-A1 CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS CD4, DCLRE1A, TOP1 HPGD 3435/4885HCAR3 2331/4885HCAR2 3343/4885

“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.