SCHEMBL4391353

SCHEMBL4391353

CCC(C)OC(=O)C(Br)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
MAPT P10636 3/20 0.41
TSHR P16473 3/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM1 P11229 2/20 0.32
TBXA2R P21731 1/20 0.32
LMNA P02545 2/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
CYP2C9 P11712 1/20 0.31
LCK P06239 1/20 0.31
PPARD Q03181 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
GALR3 O60755 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL7007545 0.84 FAAH (0.44) FAAHMAPT
SCHEMBL7716571 0.80 FAAH (0.42) FAAHMAPTTSHRCHRM2CHRM4
SCHEMBL4246694 0.80 FAAH (0.42) FAAHMAPTTSHRCHRM2CHRM4
SCHEMBL6998515 0.79 LCK (0.44) FAAHMAPTTSHRCHRM1CHRM3
SCHEMBL223705 0.78 MAPT (0.44) FAAHMAPTTSHRCHRM2CHRM4
SCHEMBL9683369 0.78 FAAH (0.41) FAAHMAPTTSHRCHRM2CHRM4
SCHEMBL334795 0.78 MAPT (0.44) FAAHMAPTTSHRCHRM2CHRM4
SCHEMBL4679354 0.78 MAPT (0.42) FAAHMAPTTSHRCHRM2CHRM4
SCHEMBL12539123 0.77 MAPT (0.38) FAAHMAPTTSHRLCKPPARD
SCHEMBL7778414 0.77 MAPT (0.42) FAAHMAPTTSHRCHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2022-10-13 US disclosed
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof FIRMENICH INCORPORATED (US) 2022-03-08 US disclosed
EP-1751146-B1 PYRIDINYL- OR PYRIMIDINYL THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITY CYCLACEL LTD (GB) 2009-12-02 EP disclosed
US-20080318954-A1 Compounds CYCLACEL LIMITED (GB) 2008-12-25 US disclosed
EP-1751146-A2 PYRIDINYL- OR PYRIMIDINYL THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITY Cyclacel Limited (GB) 2007-02-14 EP disclosed
WO-2005075468-A2 PYRIDINYL - OR PYRIMIDINYL THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITY CYCLACEL LIMITED (GB) 2005-08-18 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 (3 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-20080318954-A1 Compounds CBR3, NR3C2, NR5A1 FAAH 916/4885MAPT 3791/4885TSHR 168/4885
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 FAAH 1300/4885MAPT 527/4885TSHR 2128/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 FAAH 1493/4885MAPT 380/4885TSHR 2101/4885

“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.