SCHEMBL1614775

SCHEMBL1614775

CCCN(CCC)S(=O)(=O)C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.44
CA12 O43570 11/20 0.41
CA2 P00918 6/20 0.41
CA14 Q9ULX7 2/20 0.41
CA9 Q16790 10/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
ABCC2 Q92887 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
UGT1A7 Q9HAW7 1/20 0.40
SLC22A11 Q9NSA0 1/20 0.40
CA7 P43166 1/20 0.36
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL5118502 0.82 CA2 (0.38) CA1CA12CA2CA9
SCHEMBL26323259 0.75 CA1 (0.55) CA1CA12CA2CA14CA9
SCHEMBL400832 0.70 TP53 (0.36) CA1CA2
SCHEMBL8624021 0.67 SMYD3 (0.40) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL13100465 0.67 TP53 (0.39) CA1CA12CA2CA14CA9
Acetic Acid SCHEMBL584421 0.67 CA1 (0.50) CA1CA12CA2CA14CA9
SCHEMBL1620572 0.67 CHRM1 (0.37) CA2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL999624 0.64 CA1 (0.60) CA1CA12CA2CA14CA9
Lactic Acid SCHEMBL21145132 0.64 TP53 (0.55) CA1CA12CA2CA9SMN1; SMN2
Methylmalonic Acid SCHEMBL5874817 0.64 CA12 (0.41) CA1CA12CA2CA9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130183252-A1 COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITION AND METHODS OF MAKING SAME SENOMYX, INC. (US) 2013-07-18 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-8148544-B2 Compounds that inhibit (block) bitter taste in composition and methods of making same SENOMYX, INC. (US) 2012-04-03 US disclosed
US-8076491-B2 Compounds that inhibit (block) bitter taste in composition and use thereof SENOMYX, INC. (US) 2011-12-13 US disclosed
US-20110207937-A1 Compounds that inhibit (block) bitter taste in composition and methods of making same SENOMYX, INC. (US) 2011-08-25 US disclosed
US-7939671-B2 Compounds that inhibit (block) bitter taste in composition and use thereof SENOMYX, INC. (US) 2011-05-10 US 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
US-20090274632-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 composition and use thereof SENOMYX, INC. (US) 2009-11-05 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 (5 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-20110207937-A1 Compounds that inhibit (block) bitter taste in composition and methods of making same TAS2R50, TAS2R1, TAS2R5 CA1 765/4885CA12 2014/4885CA2 260/4885
US-20090274632-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 composition and use thereof TAS2R50, TAS2R1, TAS2R30 CA1 1335/4885CA12 2439/4885CA2 390/4885
US-20120088796-A1 COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITION AND USE THEREOF TAS2R50, TAS2R5, TAS2R1 CA1 1038/4885CA12 2234/4885CA2 308/4885
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 CA1 1307/4885CA12 2447/4885CA2 380/4885
US-20130183252-A1 COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITION AND METHODS OF MAKING SAME TAS2R50, TAS2R1, TAS2R5 CA1 765/4885CA12 2014/4885CA2 260/4885

“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.