SCHEMBL13932832

SCHEMBL13932832

CC(C)[C@H](Cc1ccncc1)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.54
▸ CA2 P00918 2/20 0.54
▸ CA7 P43166 2/20 0.54
▸ KLK5 Q9Y337 2/20 0.50
▸ BACE1 P56817 13/20 0.49
▸ CYP17A1 P05093 1/20 0.49
▸ CA4 P22748 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ ATM Q13315 1/20 0.45

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
SCHEMBL6747610 0.90 KLK5 (0.49) CA1CA2CA7KLK5BACE1
SCHEMBL6747612 0.90 KLK5 (0.49) CA1CA2CA7KLK5BACE1
SCHEMBL8283132 0.86 KLK5 (0.64) CA1CA2CA7KLK5ATM
SCHEMBL13932829 0.86 KLK5 (0.64) CA1CA2CA7KLK5ATM
SCHEMBL13748497 0.86 KLK5 (0.64) CA1CA2CA7KLK5ATM
SCHEMBL6747622 0.85 KLK5 (0.52) KLK5BACE1CYP17A1
SCHEMBL6747621 0.85 KLK5 (0.52) KLK5BACE1CYP17A1
SCHEMBL13538234 0.84 KLK5 (0.51) KLK5BACE1CYP17A1
SCHEMBL13538225 0.84 KLK5 (0.51) KLK5BACE1CYP17A1
SCHEMBL13538237 0.84 KLK5 (0.51) KLK5BACE1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11767302-B2 Reagents and methods for tetrazine synthesis UNIVERSITY OF DELAWARE (US) 2023-09-26 — — US disclosed
US-20090048227-A1 Substituted-1-Phthalazinamines As Vr- 1 Antagonists MERCK SHARP & DOHME CORP. 2009-02-19 — — US disclosed
US-20090048227-A1 Substituted-1-Phthalazinamines As Vr- 1 Antagonists MERCK SHARP & DOHME CORP. 2009-02-19 — — 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 (2 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-20090048227-A1 Substituted-1-Phthalazinamines As Vr- 1 Antagonists TRPV1, TRPV2, TRPV5 CA1 1151/4885CA2 877/4885CA7 2862/4885
US-11767302-B2 Reagents and methods for tetrazine synthesis TST, CYP4F8, CYP4Z1 CA1 504/4885CA2 2171/4885CA7 493/4885

“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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