SCHEMBL1616309

SCHEMBL1616309

COC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)NCc1cccc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP2D6 P10635 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MMP13 P45452 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
ADORA2A P29274 1/20 0.38
POLB P06746 1/20 0.38
SLC26A6 Q9BXS9 1/20 0.37
IDO1 P14902 2/20 0.37
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
TACR1 P25103 1/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL15579459 0.87 ATM (0.46) ALDH1A1MEN1KMT2ASIRT2ADRB2
SCHEMBL1279278 0.87 POLB (0.41) ALDH1A1MEN1KMT2AMMP13SIRT2
SCHEMBL1279277 0.87 POLB (0.41) ALDH1A1MEN1KMT2AMMP13SIRT2
SCHEMBL1616518 0.79 ALDH1A1 (0.52) ALDH1A1CYP2D6MEN1KMT2AMMP13
SCHEMBL2374058 0.77 PPID (0.44) CYP2D6MMP13SIRT2ADRB2ADRB1
SCHEMBL2374062 0.77 PPID (0.44) CYP2D6MMP13SIRT2ADRB2ADRB1
SCHEMBL18339554 0.76 CD274 (0.39) MEN1KMT2APOLBITGA4ITGB7
SCHEMBL23686662 0.76 ALDH1A1 (0.47) ALDH1A1CYP2D6MEN1KMT2AMMP13
SCHEMBL2373976 0.75 EPHX1 (0.39) ALDH1A1CYP2D6MMP13SIRT2KDM4E
SCHEMBL2373970 0.75 EPHX1 (0.39) ALDH1A1CYP2D6MMP13SIRT2KDM4E

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 4 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-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

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-20120088796-A1 COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITION AND USE THEREOF TAS2R50, TAS2R5, TAS2R1 ALDH1A1 2764/4885CYP2D6 2358/4885MEN1 2294/4885
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 ALDH1A1 1490/4885CYP2D6 3959/4885MEN1 3045/4885

“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.