SCHEMBL17254256

SCHEMBL17254256

COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.56
▸ PAX8 Q06710 1/20 0.56
▸ MAPT P10636 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ MMP1 P03956 1/20 0.51
▸ MMP3 P08254 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ CA1 P00915 4/20 0.50
▸ CA2 P00918 4/20 0.50
▸ OPRK1 P41145 1/20 0.49
▸ KLK5 Q9Y337 2/20 0.48
▸ KLK7 P49862 1/20 0.48
▸ CTSS P25774 2/20 0.47
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ CTSK P43235 1/20 0.47

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
SCHEMBL1755615 0.95 TDP1 (0.61) TDP1PAX8MAPTMEN1KMT2A
SCHEMBL20669110 0.94 NPY4R (0.53) TDP1PAX8MEN1KMT2ANPSR1
SCHEMBL28269289 0.94 NPY4R (0.53) TDP1PAX8MEN1KMT2ANPSR1
SCHEMBL12214996 0.92 PAX8 (0.56) TDP1PAX8MAPTMEN1KMT2A
SCHEMBL17254230 0.92 PAX8 (0.53) TDP1PAX8MAPTMEN1KMT2A
SCHEMBL17232586 0.92 PAX8 (0.53) TDP1PAX8MAPTMEN1KMT2A
SCHEMBL17553458 0.91 PAX8 (0.52) TDP1PAX8MAPTMEN1KMT2A
SCHEMBL12214999 0.90 MMP1 (0.54) TDP1PAX8MAPTMEN1KMT2A
SCHEMBL28269232 0.88 PAX8 (0.46) TDP1PAX8MAPTMEN1KMT2A
SCHEMBL28269233 0.88 PAX8 (0.46) TDP1PAX8MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170173176-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2017-06-22 — — US disclosed
US-20170173168-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD. (CN) 2017-06-22 — — US disclosed
US-20170143845-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE SUZHOU M-CONJ BIOTECH CO., LTD (CN) 2017-05-25 — — US disclosed
US-20150322155-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE Sushou M-conj Biotech Co., Ltd (CN) 2015-11-12 — — 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 (4 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-20170173176-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE AADAC, EPCAM, DCLRE1A TDP1 4027/4885PAX8 3099/4885MAPT 4288/4885
US-20170173168-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE AADAC, EPCAM, DCLRE1A TDP1 4027/4885PAX8 3099/4885MAPT 4288/4885
US-20170143845-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE AADAC, EPCAM, DCLRE1A TDP1 4027/4885PAX8 3099/4885MAPT 4288/4885
US-20150322155-A1 ACETYLENEDICARBOXYL LINKERS AND THEIR USES IN SPECIFIC CONJUGATION OF A CELL-BINDING MOLECULE DCLRE1A, AADAC, UACA TDP1 3005/4885PAX8 2585/4885MAPT 4530/4885

“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.

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