SCHEMBL1755615

SCHEMBL1755615

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.61
▸ PAX8 Q06710 1/20 0.61
▸ NPSR1 Q6W5P4 6/20 0.56
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ MAPT P10636 4/20 0.56
▸ ALDH1A1 P00352 1/20 0.52
▸ POLB P06746 3/20 0.51
▸ MMP1 P03956 2/20 0.51
▸ MMP3 P08254 2/20 0.51
▸ MMP9 P14780 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ KLK7 P49862 1/20 0.49
▸ KLK5 Q9Y337 1/20 0.49

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
SCHEMBL17254256 0.95 TDP1 (0.56) TDP1PAX8NPSR1MEN1KMT2A
SCHEMBL17254230 0.93 PAX8 (0.53) TDP1PAX8NPSR1MEN1KMT2A
SCHEMBL17232586 0.93 PAX8 (0.53) TDP1PAX8NPSR1MEN1KMT2A
SCHEMBL17553458 0.92 PAX8 (0.52) TDP1PAX8NPSR1MEN1KMT2A
SCHEMBL20530079 0.89 MAPT (0.58) TDP1PAX8NPSR1MEN1KMT2A
SCHEMBL20530077 0.89 MAPT (0.58) TDP1PAX8NPSR1MEN1KMT2A
SCHEMBL20669110 0.89 NPY4R (0.53) TDP1PAX8NPSR1MEN1KMT2A
SCHEMBL28269289 0.89 NPY4R (0.53) TDP1PAX8NPSR1MEN1KMT2A
SCHEMBL7023555 0.88 MAPT (0.51) TDP1PAX8NPSR1MEN1KMT2A
SCHEMBL19861958 0.88 PAX8 (0.52) TDP1PAX8NPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158590-B2 Triazole-containing releasable linkers, conjugates thereof, and methods of preparation SYNTARGA B.V. (NL) 2012-04-17 — — US disclosed
US-20080311136-A1 Triazole-Containing Releasable Linkers, Conjugates Thereof, and Methods of Preparation BYONDIS B.V. (NL) 2008-12-18 — — 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 (1 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-20080311136-A1 Triazole-Containing Releasable Linkers, Conjugates Thereof, and Methods of Preparation PAICS, CD44, TRIM33 TDP1 925/4885PAX8 4521/4885NPSR1 1734/4885

“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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