SCHEMBL25569841

SCHEMBL25569841

CN(C(=O)OC(C)(C)C)C(C)(C)C(=O)c1ccc2c(c1)CCS2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.33
MCHR1 Q99705 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SRD5A1 P18405 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
MT-CO2 P00403 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL25569838 0.79 SLC6A4 (0.32) SLC6A4POLBGAAMAPT
SCHEMBL10888545 0.76 MLYCD (0.35) SLC6A4POLBGAAMAPTKDM4E
SCHEMBL25672204 0.73 HDAC6 (0.36) SLC6A4POLBGAAMAPTKDM4E
SCHEMBL7213362 0.71 SLC6A4 (0.51) SLC6A4MCHR1MEN1KMT2A
SCHEMBL25569844 0.70 SLC6A4 (0.31) SLC6A4
SCHEMBL1865789 0.70 MAPT (0.50) POLBGAAMAPTKDM4EALDH1A1
SCHEMBL3142775 0.69 ALDH1A1 (0.57) POLBGAAMAPTKDM4EALDH1A1
SCHEMBL25569836 0.69 SLC6A4 (0.30) SLC6A4
SCHEMBL7759522 0.68 ALDH1A1 (0.52) POLBGAAMAPTKDM4EALDH1A1
SCHEMBL10888551 0.68 RYR2 (0.37) SLC6A4POLBGAAMAPTKDM4E

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 SLC6A4 21/4885MCHR1 1007/4885POLB 4543/4885

“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.