SCHEMBL25569832

SCHEMBL25569832

CC(C(=O)c1ccc2sccc2c1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.40
WNT3A P56704 4/20 0.40
NAMPT P43490 1/20 0.35
CA12 O43570 2/20 0.34
CA2 P00918 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
PAX8 Q06710 1/20 0.33
PTPRC P08575 1/20 0.33
PTPN6 P29350 1/20 0.33
PTPN11 Q06124 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
HTR2C P28335 1/20 0.32
CYP2A6 P11509 1/20 0.32
CHRNA7 P36544 1/20 0.32
HTR3A P46098 1/20 0.32
NPY5R Q15761 1/20 0.32

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
SCHEMBL25569902 1.00 CTNNB1 (0.40) CTNNB1WNT3ANAMPTCA12CA2
SCHEMBL25569901 1.00 CTNNB1 (0.40) CTNNB1WNT3ANAMPTCA12CA2
SCHEMBL25569912 0.91 CHRNA7 (0.34) PAX8AAK1MRGPRX4CHRNA7HTR3A
SCHEMBL25569913 0.91 CHRNA7 (0.34) PAX8AAK1MRGPRX4CHRNA7HTR3A
SCHEMBL25569848 0.91 CHRNA7 (0.34) PAX8AAK1MRGPRX4CHRNA7HTR3A
SCHEMBL25569830 0.78 NPY5R (0.36) CTNNB1WNT3ACA12CA2MMP2
SCHEMBL25569880 0.78 CYP2A6 (0.40) CTNNB1WNT3ACA12CA2MMP2
SCHEMBL25569865 0.78 CYP2A6 (0.40) CTNNB1WNT3ACA12CA2MMP2
SCHEMBL25569882 0.78 CYP2A6 (0.40) CTNNB1WNT3ACA12CA2MMP2
SCHEMBL15485751 0.77 PAX8 (0.47) CTNNB1WNT3ACA12CA2PAX8

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-20230159487-A1 ADVANTAGEOUS BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-05-25 US disclosed
US-20230159487-A1 ADVANTAGEOUS BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-05-25 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-20230159487-A1 ADVANTAGEOUS BENZOTHIOPHENE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT SLC6A3, CREBBP, SLC1A2 CTNNB1 2458/4885WNT3A 1865/4885NAMPT 135/4885

“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.