SCHEMBL14014263

SCHEMBL14014263

C[C@@H](NC(=O)OCCN=[N+]=[N-])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.52
▸ PAX8 Q06710 1/20 0.52
▸ NPSR1 Q6W5P4 5/20 0.46
▸ MAPT P10636 4/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ REN P00797 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PSMB8 P28062 1/20 0.43
▸ PSMB9 P28065 1/20 0.43
▸ PSMB5 P28074 1/20 0.43
▸ CTSS P25774 2/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSK P43235 1/20 0.42

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
SCHEMBL14014269 0.84 FOLH1 (0.44) —
SCHEMBL14015259 0.83 FOLH1 (0.43) ALDH1A1
SCHEMBL16576488 0.80 PAX8 (0.53) TDP1PAX8KMT2ARENPSMB8
SCHEMBL29521507 0.79 KLK7 (0.48) TDP1PAX8NPSR1MAPTMEN1
SCHEMBL26241451 0.79 KLK7 (0.48) TDP1PAX8NPSR1MAPTMEN1
SCHEMBL16576487 0.79 REN (0.50) TDP1PAX8KMT2ARENPSMB8
SCHEMBL30065149 0.79 MAPT (0.62) TDP1PAX8NPSR1MAPTMEN1
SCHEMBL29521785 0.78 KLK7 (0.53) TDP1PAX8NPSR1MAPTMEN1
SCHEMBL30030056 0.78 TDP1 (0.47) TDP1PAX8NPSR1MAPTMEN1
SCHEMBL13599694 0.78 MAPT (0.56) TDP1PAX8NPSR1MAPTMEN1

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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