SCHEMBL8197233

SCHEMBL8197233

CCOC(=O)CCCSC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
NR1I2 O75469 1/20 0.43
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
PTGS2 P35354 1/20 0.43
PDE4D Q08499 1/20 0.43
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TRPA1 O75762 1/20 0.40
DGKA P23743 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL18981411 0.94 CYP1A2 (0.52) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL9128807 0.88 CYP1A2 (0.47) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL18113054 0.84 CYP1A2 (0.53) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL9109410 0.81 CYP1A2 (0.59) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL15412096 0.81 ALDH1A1 (0.42) CYP1A2ALDH1A1TSHRDGKAHDAC3
SCHEMBL11616108 0.81 CYP1A2 (0.59) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL18113222 0.81 ALDH1A1 (0.52) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL9457561 0.79 CYP1A2 (0.53) CYP1A2NR1I2PGRADORA3PTGS2
SCHEMBL22500800 0.79 TSHR (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2211593 0.79 CYP1A2 (0.57) CYP1A2NR1I2PGRADORA3PTGS2

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
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
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN 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-20190177308-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. 2019-06-13 US disclosed
US-20170143022-A1 Compositions Incorporating an Umami Flavor Agent SENOMYX INC (US) 2017-05-25 US disclosed
US-20170119032-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED 2017-05-04 US disclosed
WO-2017075257-A2 HIGH INTENSITY SWEETENERS SENOMYX, INC. (US) 2017-05-04 WO 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-0755922-B1 22-THIAVITAMIN D3 DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2000-08-16 EP disclosed
US-5824811-A 22-Thiavitamin D3 derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1998-10-20 US disclosed
EP-0755922-A1 22-THIAVITAMIN D 3 DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-01-29 EP disclosed
US-5411989-A Cardiovascular disorders BOEHRINGER MANNHEIM, GMBH (DE) 1995-05-02 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 (11 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 CYP1A2 4564/4885NR1I2 3388/4885PGR 4769/4885
US-20170119032-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 CYP1A2 4564/4885NR1I2 3388/4885PGR 4769/4885
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 CYP1A2 2167/4885NR1I2 1429/4885PGR 2815/4885
US-10392371-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM4, TRPM6 CYP1A2 4582/4885NR1I2 1865/4885PGR 3778/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 CYP1A2 4564/4885NR1I2 3388/4885PGR 4769/4885
US-20170143022-A1 Compositions Incorporating an Umami Flavor Agent TAS2R8, TAS2R45, TAS2R40 CYP1A2 2495/4885NR1I2 2831/4885PGR 3261/4885
US-20190177308-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 CYP1A2 4547/4885NR1I2 2303/4885PGR 3399/4885
US-20170087199-A1 COMPOSITIONS FOR DELIVERING A COOLING SENSATION TRPA1, PDE6G, PDE6D CYP1A2 1422/4885NR1I2 1269/4885PGR 1531/4885
US-20210227863-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 CYP1A2 4564/4885NR1I2 3388/4885PGR 4769/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 CYP1A2 4564/4885NR1I2 3388/4885PGR 4769/4885
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 CYP1A2 4547/4885NR1I2 2303/4885PGR 3399/4885

“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.