SCHEMBL5163680

SCHEMBL5163680

CCCC[C@@H](S)CCOC

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.40
DNM1 Q05193 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
FDPS P14324 1/20 0.33
CYP3A4 P08684 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3248615 1.00 MMP13 (0.40) MMP13DNM1CA1CA2FDPS
SCHEMBL5158910 1.00 MMP13 (0.40) MMP13DNM1CA1CA2FDPS
SCHEMBL5163671 0.85
SCHEMBL29473930 0.85
SCHEMBL7590291 0.84 MMP13 (0.33) MMP13
SCHEMBL384819 0.82 DNM1 (0.45) MMP13DNM1CA1CA2FDPS
SCHEMBL10947406 0.79 DNM1 (0.43) MMP13DNM1CA1CA2FDPS
SCHEMBL10941450 0.79 DNM1 (0.43) MMP13DNM1CA1CA2FDPS
Bromide SCHEMBL3385366 0.79 DNM1 (0.43) MMP13DNM1CA1CA2FDPS
Hydrochloric Acid SCHEMBL965472 0.79 DNM1 (0.43) MMP13DNM1CA1CA2FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1249446-B1 Use of thio derivates as flavoring ingredients FIRMENICH & CIE (CH) 2007-03-07 EP disclosed
US-7008919-B2 Use of thio derivatives as perfuming and flavoring ingredients FIRMENICH SA (CH) 2006-03-07 US disclosed
US-20030040460-A1 Use of thio derivatives as perfuming and flavoring ingredients FIRMENICH SA (CH) 2003-02-27 US disclosed
EP-1249446-A2 Use of thio derivates as perfuming and flavoring ingredients FIRMENICH SA (CH) 2002-10-16 EP 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-20030040460-A1 Use of thio derivatives as perfuming and flavoring ingredients TAS2R1, TAS2R4, TAS1R1 MMP13 4729/4885DNM1 4851/4885CA1 2668/4885

“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.