SCHEMBL5158910

SCHEMBL5158910

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
SCHEMBL5163680 1.00 MMP13 (0.40) MMP13DNM1CA1CA2FDPS
SCHEMBL3248615 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 26 patents — showing the first 20. 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 claimed
US-7008919-B2 Use of thio derivatives as perfuming and flavoring ingredients FIRMENICH SA (CH) 2006-03-07 US claimed
US-20030040460-A1 Use of thio derivatives as perfuming and flavoring ingredients FIRMENICH SA (CH) 2003-02-27 US claimed
EP-1249446-A2 Use of thio derivates as perfuming and flavoring ingredients FIRMENICH SA (CH) 2002-10-16 EP claimed
US-20240277012-A1 DUPLICATE BEVERAGE WANG JIE (US) 2024-08-22 US disclosed
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 US disclosed
US-11758933-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2023-09-19 US disclosed
EP-3368542-B1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2022-06-22 EP disclosed
US-11357246-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2022-06-14 US disclosed
US-20210227863-A1 HIGH INTENSITY SWEETENERS SENOMYX, INC. 2021-07-29 US disclosed
EP-3356356-B1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED (US) 2021-05-26 EP disclosed
US-10392371-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2019-08-27 US disclosed
US-20170119032-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED 2017-05-04 US disclosed
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED 2017-04-06 US disclosed
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION SENOMYX INC (US) 2017-03-30 US disclosed
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF SENOMYX INC (US) 2016-12-29 US disclosed
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 (10 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-20240108040-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 MMP13 4804/4885DNM1 2269/4885CA1 1475/4885
US-20030040460-A1 Use of thio derivatives as perfuming and flavoring ingredients TAS2R1, TAS2R4, TAS1R1 MMP13 4729/4885DNM1 4851/4885CA1 2668/4885
US-20170119032-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 MMP13 4804/4885DNM1 2269/4885CA1 1475/4885
US-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF TAS2R5, TAS1R1, TAS2R1 MMP13 4820/4885DNM1 3046/4885CA1 3404/4885
US-10392371-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM4, TRPM6 MMP13 4789/4885DNM1 2648/4885CA1 1069/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 MMP13 4804/4885DNM1 2269/4885CA1 1475/4885
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION TRPA1, PDE6G, PDE6D MMP13 2512/4885DNM1 4755/4885CA1 2228/4885
US-20210227863-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 MMP13 4804/4885DNM1 2269/4885CA1 1475/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 MMP13 4804/4885DNM1 2269/4885CA1 1475/4885
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 MMP13 4784/4885DNM1 3228/4885CA1 934/4885

“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.