SCHEMBL16656809

SCHEMBL16656809

CC(c1ccccc1)N(CC(=O)O)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.52
MTOR P42345 1/20 0.46
DAGLA Q9Y4D2 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.42
PGR P06401 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
KCNH2 Q12809 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
MME P08473 1/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
APAF1 O14727 1/20 0.41
CYP2D6 P10635 1/20 0.40
GAA P10253 1/20 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
SCHEMBL27168282 0.91 PGR (0.50) ALOX5MTORDAGLATRPM8PGR
SCHEMBL7166960 0.85 ALOX5 (0.42) ALOX5MTORDAGLATRPM8
SCHEMBL11276344 0.84 POLB (0.48) ALOX5DAGLAKCNH2MMEPOLB
SCHEMBL13624815 0.82 ALOX5 (0.41) ALOX5MTORDAGLATRPM8POLB
SCHEMBL12344914 0.82 ALOX5 (0.41) ALOX5MTORDAGLATRPM8POLB
SCHEMBL28449423 0.81 ALOX5 (0.40) ALOX5MTORDAGLATRPM8
SCHEMBL14660341 0.81 ALOX5 (0.49) ALOX5MTORHTR2AHRH1MTNR1A
SCHEMBL16656812 0.80 ALOX5 (0.51) ALOX5
SCHEMBL16656762 0.80 ALOX5 (0.51) ALOX5
SCHEMBL16656773 0.80 ALOX5 (0.51) ALOX5

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-20210009508-A1 Automated Synthesis of Small Molecules Using Chiral, Non-Racemic Boronates NATIONAL SCIENCE FOUNDATION 2021-01-14 US disclosed
US-10752577-B2 Automated synthesis of small molecules using chiral, non-racemic boronates THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-08-25 US disclosed
US-20190315676-A1 AUTOMATED SYNTHESIS OF SMALL MOLECULES USING CHIRAL, NON-RACEMIC BORONATES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2019-10-17 US disclosed
US-10239824-B2 Automated synthesis of small molecules using chiral, non-racemic boronates THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-03-26 US disclosed
US-20170158614-A1 AUTOMATED SYNTHESIS OF SMALL MOLECULES USING CHIRAL, NON-RACEMIC BORONATES NATIONAL SCIENCE FOUNDATION 2017-06-08 US disclosed
US-9388131-B2 Automated synthesis of small molecules using chiral, non-racemic boronates THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-07-12 US disclosed
US-20150329567-A1 Automated Synthesis of Small Molecules Using Chiral, Non-Racemic Boronates THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-11-19 US disclosed
US-9012658-B2 Automated synthesis of small molecules using chiral, non-racemic boronates THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2015-04-21 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 (6 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-20150329567-A1 Automated Synthesis of Small Molecules Using Chiral, Non-Racemic Boronates BTD, POLL, POLR1A ALOX5 1847/4885MTOR 756/4885DAGLA 2309/4885
US-10752577-B2 Automated synthesis of small molecules using chiral, non-racemic boronates BTD, POLL, POLR1A ALOX5 1847/4885MTOR 756/4885DAGLA 2309/4885
US-20170158614-A1 AUTOMATED SYNTHESIS OF SMALL MOLECULES USING CHIRAL, NON-RACEMIC BORONATES BTD, POLL, POLR1A ALOX5 1847/4885MTOR 756/4885DAGLA 2309/4885
US-20190315676-A1 AUTOMATED SYNTHESIS OF SMALL MOLECULES USING CHIRAL, NON-RACEMIC BORONATES BTD, POLL, POLR1A ALOX5 1847/4885MTOR 756/4885DAGLA 2309/4885
US-10239824-B2 Automated synthesis of small molecules using chiral, non-racemic boronates BTD, POLL, POLR1A ALOX5 1847/4885MTOR 756/4885DAGLA 2309/4885
US-20210009508-A1 Automated Synthesis of Small Molecules Using Chiral, Non-Racemic Boronates BTD, POLL, POLR1A ALOX5 1847/4885MTOR 756/4885DAGLA 2309/4885

“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.