SCHEMBL1279464

SCHEMBL1279464

CC(NCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 6/20 0.51
MEP1B Q16820 2/20 0.43
FFAR1 O14842 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.42
GPR132 Q9UNW8 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PDCD1 Q15116 2/20 0.40

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
SCHEMBL1279851 0.89 MEN1 (0.44) CD274MEP1BKDM4EALDH1A1MEN1
SCHEMBL1279588 0.89 MEN1 (0.44) CD274MEP1BKDM4EALDH1A1MEN1
SCHEMBL1279586 0.89 MEN1 (0.44) CD274MEP1BKDM4EALDH1A1MEN1
SCHEMBL1278891 0.88 MEP1B (0.46) CD274MEP1BFFAR1KDM4EALDH1A1
SCHEMBL18339554 0.84 CD274 (0.39) CD274MEP1BFFAR1MEN1KMT2A
SCHEMBL25379733 0.82 SMN1; SMN2 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL13534742 0.82 FFAR1 (0.49) FFAR1
SCHEMBL12051373 0.81 ALDH1A1 (0.43) CD274MEP1BALDH1A1MEN1KMT2A
SCHEMBL1279849 0.80 CD274 (0.43) CD274ALDH1A1HSD17B10MEN1KMT2A
SCHEMBL1279848 0.80 CD274 (0.43) CD274ALDH1A1HSD17B10MEN1KMT2A

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-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
US-9247759-B2 Identification of human T2R receptors that respond to bitter compounds that elicit the bitter taste in compositions, and the use thereof in assays to identify compounds that inhibit (block) bitter taste in compositions and use thereof SENOMYX, INC. (US) 2016-02-02 US disclosed
US-20130345222-A1 IDENTIFICATION OF HUMAN T2R RECEPTORS THAT RESPOND TO BITTER COMPOUNDS THAT ELICIT THE BITTER TASTE IN COMPOSITIONS, AND THE USE THEREOF IN ASSAYS TO IDENTIFY COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITIONS AND USE THEREOF FIRMENICH INCORPORATED 2013-12-26 US disclosed
US-8445692-B2 Compounds that inhibit (block) bitter taste in composition and use thereof SENOMYX INC. (US) 2013-05-21 US disclosed
US-20120088796-A1 COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITION AND USE THEREOF SENOMYX, INC. (US) 2012-04-12 US disclosed
US-8076491-B2 Compounds that inhibit (block) bitter taste in composition and use thereof SENOMYX, INC. (US) 2011-12-13 US disclosed
WO-2011106114-A1 IDENTIFICATION OF HUMAN T2R RECEPTORS AND THE USE THEREOF TO IDENTIFY INHIBITORS (BLOCKERS) OF BITTER TASTE SENOMYX, INC. (US) 2011-09-01 WO disclosed
US-20100254916-A1 Identification of human T2R receptors that respond to bitter compounds that elicit the bitter taste in compositions, and the use thereof in assays to identify compounds that inhibit (block) bitter taste in compositions and use thereof SENOMYX, INC. (US) 2010-10-07 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 (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-20120088796-A1 COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITION AND USE THEREOF TAS2R50, TAS2R5, TAS2R1 CD274 1280/4885MEP1B 1074/4885FFAR1 274/4885
US-20100254916-A1 Identification of human T2R receptors that respond to bitter compounds that elicit the bitter taste in compositions, and the use thereof in assays to identify compounds that inhibit (block) bitter taste in compositions and use thereof TAS2R50, TAS2R1, TAS2R30 CD274 1978/4885MEP1B 1561/4885FFAR1 227/4885
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 CD274 1880/4885MEP1B 3516/4885FFAR1 228/4885

“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.