SCHEMBL25569846

SCHEMBL25569846

CC(N(C)C(=O)OC(C)(C)C)C(C)(O)c1ccc2ccsc2c1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.32
PAX8 Q06710 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
PTPRC P08575 1/20 0.30
PTPN6 P29350 1/20 0.30
PTPN11 Q06124 1/20 0.30
PTPN22 Q9Y2R2 1/20 0.30
MRGPRX4 Q96LA9 1/20 0.30
CCR9 P51686 1/20 0.30

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
SCHEMBL25569848 0.79 CHRNA7 (0.34) AAK1PAX8OPRM1OPRK1MRGPRX4
SCHEMBL25569912 0.79 CHRNA7 (0.34) AAK1PAX8OPRM1OPRK1MRGPRX4
SCHEMBL25569913 0.79 CHRNA7 (0.34) AAK1PAX8OPRM1OPRK1MRGPRX4
SCHEMBL25569868 0.78 OPRM1 (0.38) AAK1PAX8OPRM1OPRK1MRGPRX4
SCHEMBL25569886 0.78 OPRM1 (0.38) AAK1PAX8OPRM1OPRK1MRGPRX4
SCHEMBL25569892 0.78 OPRM1 (0.38) AAK1PAX8OPRM1OPRK1MRGPRX4
SCHEMBL3962061 0.75 PAX8 (0.47) PAX8OPRM1OPRK1MRGPRX4
SCHEMBL30430045 0.71 PTPRC (0.33) PTPRCPTPN6PTPN11PTPN22
SCHEMBL25672258 0.71 PTPRC (0.33) PTPRCPTPN6PTPN11PTPN22
SCHEMBL25569902 0.71 CTNNB1 (0.40) AAK1PAX8PTPRCPTPN6PTPN11

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 AAK1 1692/4885PAX8 1892/4885OPRM1 1733/4885

“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.