SCHEMBL22912361

SCHEMBL22912361

BC(B)(CCC(CCSCc1ccccc1)SCc1ccccc1)CC(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MMP2 P08253 5/20 0.37
▸ MMP3 P08254 5/20 0.37
▸ MMP9 P14780 5/20 0.37
▸ MMP13 P45452 5/20 0.37
▸ MMP1 P03956 4/20 0.37
▸ GAA P10253 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL22912363 0.90 CYP2C19 (0.37) CYP2C19L3MBTL1MMP2MMP3MMP9
SCHEMBL22912377 0.84 CYP2C19 (0.40) CYP2C19L3MBTL1MMP2MMP3MMP9
SCHEMBL22912360 0.80 CYP2C19 (0.46) CYP2C19L3MBTL1GAAHTTSMN1; SMN2
SCHEMBL13333203 0.80 CYP2C19 (0.46) CYP2C19L3MBTL1GAAHTTSMN1; SMN2
SCHEMBL26613582 0.79 CYP2C19 (0.41) CYP2C19L3MBTL1MMP2MMP3MMP9
SCHEMBL22912362 0.79 CYP2C19 (0.44) CYP2C19L3MBTL1GAAHTTSMN1; SMN2
SCHEMBL26613581 0.76 CYP2C19 (0.42) CYP2C19L3MBTL1GAAHTTSMN1; SMN2
SCHEMBL22912386 0.73 CYP2C19 (0.39) CYP2C19MMP2MMP3MMP9MMP13
SCHEMBL22912372 0.73 CYP2C19 (0.46) CYP2C19MMP2MMP3MMP9MMP13
SCHEMBL20395792 0.73 CYP2C19 (0.63) CYP2C19MMP2MMP3MMP9MMP13

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-20230348373-A1 DEUTERATED DERIVATIVES OF 6,8-BIS(BENZYLSULFANYL)OCTANOIC ACID RAFAEL PHARMACEUTICALS, INC. (US) 2023-11-02 — — US disclosed
WO-2021011334-A1 DEUTERATED DERIVATIVES OF 6,8-BIS(BENZYLSULFANYL)OCTANOIC ACID RAFAEL PHARMACEUTICALS, INC. (US) 2021-01-21 — — WO 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 2896/4885MMP2 4258/4885

“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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