SCHEMBL14015259

SCHEMBL14015259

C=CCOC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)OCCN=[N+]=[N-])C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 11/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ GNPAT O15228 1/20 0.41
▸ TGM2 P21980 1/20 0.41
▸ CPB1 P15086 1/20 0.41
▸ CPB2 Q96IY4 1/20 0.41

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
SCHEMBL14015260 0.90 SIRT2 (0.40) ALDH1A1
SCHEMBL14014269 0.86 FOLH1 (0.44) FOLH1
SCHEMBL14015261 0.86 SIRT2 (0.43) —
SCHEMBL14014263 0.83 TDP1 (0.52) ALDH1A1
SCHEMBL14817637 0.81 GNPAT (0.53) ALDH1A1GNPATCPB1CPB2
SCHEMBL12285382 0.79 PAX8 (0.51) ALDH1A1GNPATTGM2
SCHEMBL9293333 0.75 FOLH1 (0.68) FOLH1TGM2CPB1CPB2
SCHEMBL12082261 0.74 FOLH1 (0.67) FOLH1TGM2CPB1CPB2
SCHEMBL8259105 0.72 CTSS (0.50) ALDH1A1
SCHEMBL29398404 0.72 FOLH1 (0.62) FOLH1TGM2

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 FOLH1 90/4885ALDH1A1 613/4885GNPAT 2453/4885

“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.

Send feedback