SCHEMBL3248977

SCHEMBL3248977

CCCCCCC(S)OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.45
GPR84 Q9NQS5 5/20 0.44
FFAR1 O14842 1/20 0.44
ZDHHC7 Q9NXF8 1/20 0.43
GLS2 Q9UI32 2/20 0.43
PRKCA P17252 2/20 0.42
MAPT P10636 1/20 0.42
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
LMNA P02545 2/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL5693919 1.00 FAAH (0.45) FAAHGPR84FFAR1ZDHHC7GLS2
SCHEMBL27468258 1.00 FAAH (0.45) FAAHGPR84FFAR1ZDHHC7GLS2
SCHEMBL28940530 0.98 FAAH (0.44) FAAHGPR84FFAR1ZDHHC7GLS2
SCHEMBL2484343 0.98 FAAH (0.42) FAAHGPR84FFAR1ZDHHC7GLS2
SCHEMBL845716 0.83
SCHEMBL10499394 0.82 FAAH (0.42) FAAHGPR84FFAR1ZDHHC7MAPT
SCHEMBL28982590 0.82 NAAA (0.47) FAAHGPR84FFAR1ZDHHC7MAPT
SCHEMBL28702395 0.82 TSHR (0.51) FAAHGPR84FFAR1ZDHHC7MAPT
SCHEMBL27745917 0.82 TRPV1 (0.42) FAAHMAPTLMNA
Potassium Ion SCHEMBL11138067 0.81 CA2 (0.47) FAAHGPR84FFAR1ZDHHC7MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10993464-B2 Thiols as flavoring ingredient FIRMENICH SA (CH) 2021-05-04 US disclosed
US-20180055077-A1 THIOLS AS FLAVORING INGREDIENT FIRMENICH SA (CH) 2018-03-01 US disclosed
US-20130295229-A1 THIOLS AS FLAVORING INGREDIENT FIRMENICH SA (CH) 2013-11-07 US disclosed
US-20100303988-A1 THIOLS AS FLAVORING INGREDIENT FIRMENICH SA 2010-12-02 US disclosed
EP-1882027-B1 THIOLS AS FLAVORING INGREDIENT FIRMENICH & CIE (CH) 2010-07-21 EP disclosed
EP-1882027-A1 THIOLS AS FLAVORING INGREDIENT FIRMENICH SA (CH) 2008-01-30 EP disclosed
US-20080020116-A1 THIOLS AS FLAVORING INGREDIENT FIRMENICH SA (CH) 2008-01-24 US disclosed
WO-2006120625-A1 THIOLS AS FLAVORING INGREDIENT FIRMENICH SA (CH) 2006-11-16 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 (2 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-10993464-B2 Thiols as flavoring ingredient TAS1R3, TMT1A, TST FAAH 1193/4885GPR84 4218/4885FFAR1 3982/4885
US-20180055077-A1 THIOLS AS FLAVORING INGREDIENT TAS1R3, TMT1A, TST FAAH 1193/4885GPR84 4218/4885FFAR1 3982/4885

“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.