SCHEMBL26613581

SCHEMBL26613581

[2H]C([2H])(CCC(CCSCc1ccccc1)SCc1ccccc1)CC(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ HPGD P15428 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ATM Q13315 1/20 0.36

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
SCHEMBL13333203 0.91 CYP2C19 (0.46) CYP2C19L3MBTL1SMN1; SMN2POLBGAA
SCHEMBL22912360 0.91 CYP2C19 (0.46) CYP2C19L3MBTL1SMN1; SMN2POLBGAA
SCHEMBL26613582 0.90 CYP2C19 (0.41) CYP2C19L3MBTL1SMN1; SMN2POLBGAA
Cpi 613 SCHEMBL26613507 0.87 CYP2C19 (0.54) CYP2C19SMN1; SMN2POLBLMNAMAPT
SCHEMBL22912362 0.82 CYP2C19 (0.44) CYP2C19L3MBTL1SMN1; SMN2POLBGAA
SCHEMBL26613554 0.80 CYP2C19 (0.50) CYP2C19L3MBTL1SMN1; SMN2POLBGAA
SCHEMBL17381367 0.79 CYP2C19 (0.49) CYP2C19SMN1; SMN2POLBHTTLMNA
Cpi 613 SCHEMBL1062218 0.79 CYP2C19 (0.59) CYP2C19SMN1; SMN2LMNAMAPTALDH1A1
Cpi 613 SCHEMBL13333201 0.79 CYP2C19 (0.59) CYP2C19SMN1; SMN2LMNAMAPTALDH1A1
Cpi 613 SCHEMBL26613605 0.78 CYP2C19 (0.55) CYP2C19SMN1; SMN2POLBGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348373-A1 DEUTERATED DERIVATIVES OF 6,8-BIS(BENZYLSULFANYL)OCTANOIC ACID RAFAEL PHARMACEUTICALS, INC. (US) 2023-11-02 — — 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-20230348373-A1 DEUTERATED DERIVATIVES OF 6,8-BIS(BENZYLSULFANYL)OCTANOIC ACID SCD5, DHCR7, BCL6 CYP2C19 1131/4885L3MBTL1 2896/4885SMN1; SMN2 4025/4885

“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.

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