SCHEMBL15414331

SCHEMBL15414331

CN(C(=O)OC(C)(C)C)[C@H](Cc1ccc(OP(=O)(O)O)c([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
GRM4 Q14833 5/20 0.36
PDCD1 Q15116 6/20 0.35
CD274 Q9NZQ7 6/20 0.35
GRM8 O00222 4/20 0.35
GRM6 O15303 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MMP13 P45452 1/20 0.33
GRB2 P62993 1/20 0.33

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
SCHEMBL28905368 1.00 ALDH1A1 (0.39) ALDH1A1GRM4PDCD1CD274GRM8
SCHEMBL15432849 1.00 ALDH1A1 (0.39) ALDH1A1GRM4PDCD1CD274GRM8
SCHEMBL18928692 0.88 ALDH1A1 (0.52) ALDH1A1GRM4GRM8GRM6SMN1; SMN2
SCHEMBL7515946 0.88 ALDH1A1 (0.52) ALDH1A1GRM4GRM8GRM6SMN1; SMN2
SCHEMBL28921925 0.87 ALDH1A1 (0.41) ALDH1A1PDCD1CD274SMN1; SMN2KDM4E
SCHEMBL28070806 0.86 GRM4 (0.37) ALDH1A1GRM4PDCD1CD274GRM8
SCHEMBL28070805 0.86 GRM4 (0.37) ALDH1A1GRM4PDCD1CD274GRM8
SCHEMBL18918280 0.84 GRB2 (0.44) MMP13GRB2
SCHEMBL15433042 0.84 GRB2 (0.44) MMP13GRB2
SCHEMBL19278903 0.84 GRM4 (0.43) ALDH1A1GRM4GRM8GRM6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834406-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-12-05 US disclosed
US-11767294-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-09-26 US disclosed
CN-109912683-B Cytotoxin molecule, conjugate, preparation method and application thereof 杭州多禧生物科技有限公司 2023-01-06 CN disclosed
CN-115505029-A Cytotoxin molecule, conjugate, preparation method and application thereof 杭州多禧生物科技有限公司 2022-12-23 CN disclosed
EP-3210627-B1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO LTD (CN) 2022-12-21 EP disclosed
CN-112826940-A Conjugates of cytotoxic molecules and cell-binding receptor molecules 杭州多禧生物科技有限公司 2021-05-25 CN disclosed
CN-105641707-B Conjugates of cytotoxic molecules and cell-binding receptor molecules 杭州多禧生物科技有限公司 2020-11-24 CN disclosed
EP-2872157-B1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO LTD (CN) 2020-01-22 EP disclosed
US-20190330149-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2019-10-31 US disclosed
US-10399941-B2 Conjugates of cell binding molecules with cytotoxic agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2019-09-03 US disclosed
EP-3348280-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS Hangzhou Dac Biotech Co., Ltd (CN) 2018-07-18 EP disclosed
US-20180021448-A9 Conjugates of Cell Binding Molecules with Cytotoxic Agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2018-01-25 US disclosed
US-20170296663-A1 Conjugates of Cell Binding Molecules with Cytotoxic Agents HANGZHOU DAC BIOTECH CO., LTD. (CN) 2017-10-19 US disclosed
EP-3210627-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS Hangzhou Dac Biotech Co., Ltd (CN) 2017-08-30 EP disclosed
US-20170157262-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO., LTD (CN) 2017-06-08 US disclosed
EP-2872157-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS Hangzhou Dac Biotech Co., Ltd (CN) 2015-05-20 EP disclosed
WO-2014009774-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO., LTD (CN) 2014-01-16 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-20190330149-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS CD4, CD2, CD47 ALDH1A1 3045/4885GRM4 2549/4885PDCD1 286/4885
US-10399941-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 ALDH1A1 3045/4885GRM4 2549/4885PDCD1 286/4885
US-20170157262-A1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS CD4, CD2, CD47 ALDH1A1 3672/4885GRM4 2704/4885PDCD1 324/4885
US-11767294-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 ALDH1A1 3045/4885GRM4 2549/4885PDCD1 286/4885
US-20180021448-A9 Conjugates of Cell Binding Molecules with Cytotoxic Agents CD4, CD2, CD47 ALDH1A1 3045/4885GRM4 2549/4885PDCD1 286/4885
US-20170296663-A1 Conjugates of Cell Binding Molecules with Cytotoxic Agents CD4, CD2, CD47 ALDH1A1 3045/4885GRM4 2549/4885PDCD1 286/4885
US-11834406-B2 Conjugates of cell binding molecules with cytotoxic agents CD4, CD2, CD47 ALDH1A1 3232/4885GRM4 2483/4885PDCD1 323/4885

“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.