Benzenemethanethiol

Benzenemethanethiol

SCHEMBL6807689

O=C1NC(=O)C2(CCCCC2SCc2ccccc2)N1.SCc1ccccc1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 1/20 0.40
CRBN Q96SW2 2/20 0.38
DDB1 Q16531 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
IDO1 P14902 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL940436 0.94 GAA (0.44) GAAHPGDMAPK1CRBNDDB1
SCHEMBL6235555 0.91 CRBN (0.43) GAAHPGDMAPK1CRBNDDB1
SCHEMBL6239837 0.72 CRBN (0.39) GAAHPGDCRBNDDB1ALDH1A1
SCHEMBL6807691 0.68 CRBN (0.40) GAAHPGDMAPK1CRBNDDB1
SCHEMBL15229601 0.66 TDP1 (0.42) GAAHPGDMAPK1TDP1ALDH1A1
SCHEMBL11284008 0.65 SMN1; SMN2 (0.41) HPGDMAPK1CRBNDDB1SMN1; SMN2
SCHEMBL12880750 0.64 TDP1 (0.44) GAAHPGDMAPK1TDP1ALDH1A1
SCHEMBL12880751 0.64 TDP1 (0.44) GAAHPGDMAPK1TDP1ALDH1A1
SCHEMBL13053338 0.63 ALDH1A1 (0.43) GAAHPGDMAPK1CRBNDDB1
SCHEMBL13053343 0.63 ALDH1A1 (0.43) GAAHPGDMAPK1CRBNDDB1

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-20040127528-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-01 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-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 GAA 163/4885HPGD 241/4885MAPK1 2514/4885

“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.