SCHEMBL29782832

SCHEMBL29782832

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCc1ccc(-c2nncnn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.67
CA1 P00915 10/20 0.67
CA2 P00918 10/20 0.67
CA9 Q16790 10/20 0.67
TDP1 Q9NUW8 5/20 0.51
MEN1 O00255 1/20 0.51
ABL1 P00519 1/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
IDE P14735 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
RIN1 Q13671 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ITGB1 P05556 1/20 0.48
ITGA4 P13612 1/20 0.48
GBA1 P04062 1/20 0.46

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
SCHEMBL31019320 0.91 GBA1 (0.58) CA12CA1CA2CA9PKM
SCHEMBL31578430 0.85 CA12 (0.74) CA12CA1CA2CA9TDP1
SCHEMBL12807414 0.84 CA12 (0.75) CA12CA1CA2CA9TDP1
SCHEMBL6372736 0.84 CA12 (0.79) CA12CA1CA2CA9TDP1
SCHEMBL9412855 0.83 CA12 (0.75) CA12CA1CA2CA9TDP1
SCHEMBL14308477 0.81 CA12 (0.72) CA12CA1CA2CA9TDP1
SCHEMBL9412854 0.80 CA12 (0.73) CA12CA1CA2CA9TDP1
SCHEMBL18268938 0.78 CA12 (0.60) CA12CA1CA2CA9TDP1
SCHEMBL31578520 0.78 CA12 (0.64) CA12CA1CA2CA9TDP1
SCHEMBL12735647 0.78 CA12 (0.69) CA12CA1CA2CA9TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250114441-A1 POLYMERIC VACCINE FOR OPIOID ADDICTION THE JOHNS HOPKINS UNVERSITY 2025-04-10 US disclosed
WO-2025058000-A1 PHARMACEUTICAL COMPOSITION FOR TREATING, PREVENTING AND/OR DIAGNOSING CANCER 東レ株式会社 2025-03-20 WO disclosed
US-20240410876-A1 EXTRACELLULAR VESICLE DRUG ANALYSIS FOR REAL-TIME MONITORING OF TARGETED THERAPY NAT UNIV SINGAPORE (SG) 2024-12-12 US disclosed
US-20240117431-A1 STEM-CELL BASED BIOMARKER DISCOVERY UNIV CALIFORNIA (US) 2024-04-11 US disclosed
WO-2023033129-A1 PHARMACEUTICAL COMPOSITION FOR TREATING AND/OR PREVENTING CANCER 東レ株式会社 2023-03-09 WO disclosed
WO-2022168055-A1 EXTRACELLULAR VESICLE DRUG ANALYSIS FOR REAL-TIME MONITORING OF TARGETED THERAPY NATIONAL UNIVERSITY OF SINGAPORE (SG) 2022-08-11 WO 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-20250114441-A1 POLYMERIC VACCINE FOR OPIOID ADDICTION OPRM1, OPRK1, OPRL1 CA12 3323/4885CA1 4438/4885CA2 4595/4885

“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.