SCHEMBL25569830

SCHEMBL25569830

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.36
GAA P10253 1/20 0.34
CA12 O43570 2/20 0.34
CA2 P00918 2/20 0.34
MMP2 P08253 1/20 0.33
MMP13 P45452 1/20 0.33
PTPRC P08575 1/20 0.32
PTPN6 P29350 1/20 0.32
PTPN11 Q06124 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
HTR2C P28335 1/20 0.32
CTNNB1 P35222 2/20 0.32
WNT3A P56704 2/20 0.32
CYP2A6 P11509 1/20 0.31
PAX8 Q06710 1/20 0.31

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
SCHEMBL25569834 0.87 PTPRC (0.34) CA12CA2MMP2MMP13PTPRC
SCHEMBL25569901 0.78 CTNNB1 (0.40) NPY5RCA12CA2MMP2MMP13
SCHEMBL25569902 0.78 CTNNB1 (0.40) NPY5RCA12CA2MMP2MMP13
SCHEMBL25569832 0.78 CTNNB1 (0.40) NPY5RCA12CA2MMP2MMP13
SCHEMBL25569880 0.77 CYP2A6 (0.40) CA12CA2MMP2MMP13PTPRC
SCHEMBL25569865 0.77 CYP2A6 (0.40) CA12CA2MMP2MMP13PTPRC
SCHEMBL25569882 0.77 CYP2A6 (0.40) CA12CA2MMP2MMP13PTPRC
SCHEMBL632517 0.75 KMT2A (0.38) CA12CA2PTPRCPTPN6PTPN11
SCHEMBL15485751 0.74 PAX8 (0.47) CA12CA2PTPRCPTPN6PTPN11
SCHEMBL25669800 0.73 CYP2A6 (0.42) CA12CA2MMP2MMP13PTPRC

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 NPY5R 377/4885GAA 1831/4885CA12 1923/4885

“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.