SCHEMBL2289954

SCHEMBL2289954

CCCCC(CC(=O)O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABBR2 O75899 1/20 0.58
▸ GABBR1 Q9UBS5 1/20 0.58
▸ MAPT P10636 1/20 0.51
▸ POLB P06746 2/20 0.50
▸ CYSLTR2 Q9NS75 1/20 0.46
▸ CYSLTR1 Q9Y271 1/20 0.46
▸ FNTA P49354 3/20 0.45
▸ FNTB P49356 3/20 0.45
▸ HDAC3 O15379 2/20 0.44
▸ HDAC4 P56524 2/20 0.44
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC7 Q8WUI4 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ HDAC10 Q969S8 2/20 0.44
▸ HDAC11 Q96DB2 2/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HDAC9 Q9UKV0 2/20 0.44
▸ HDAC5 Q9UQL6 2/20 0.44
▸ MEN1 O00255 1/20 0.44

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
SCHEMBL7663044 0.95 GABBR2 (0.56) GABBR2GABBR1MAPTPOLBCYSLTR2
SCHEMBL4403980 0.93 GABBR2 (0.54) GABBR2GABBR1MAPTCYSLTR2CYSLTR1
SCHEMBL27688433 0.93 GABBR2 (0.54) GABBR2GABBR1MAPTCYSLTR2CYSLTR1
SCHEMBL3242852 0.93 GABBR2 (0.54) GABBR2GABBR1MAPTCYSLTR2CYSLTR1
SCHEMBL2292396 0.89 GABBR2 (0.61) GABBR2GABBR1MAPTPOLBFNTA
SCHEMBL28346014 0.89 GABBR2 (0.61) GABBR2GABBR1MAPTPOLBFNTA
SCHEMBL14359785 0.89 GABBR2 (0.66) GABBR2GABBR1MAPTFNTAFNTB
SCHEMBL9678409 0.88 POLB (0.49) GABBR2GABBR1MAPTPOLBCYSLTR2
SCHEMBL28088769 0.86 ALDH1A1 (0.51) GABBR2GABBR1POLBHDAC3HDAC4
SCHEMBL604072 0.86 ESR1 (0.47) GABBR2GABBR1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240200049-A1 COMPOSITIONS AND METHODS OF USE THEREOF FOR MAKING POLYPEPTIDES WITH MANY INSTANCES OF NONSTANDARD AMINO ACIDS YALE UNIVERSITY 2024-06-20 — — US disclosed
WO-2023168367-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS IMMUNESENSOR THERAPEUTICS, INC. (US) 2023-09-07 — — WO disclosed
US-11649446-B2 Compositions and methods of use thereof for making polypeptides with many instances of nonstandard amino acids YALE UNIVERSITY (US) 2023-05-16 — — US disclosed
US-20200190500-A1 COMPOSITIONS AND METHODS OF USE THEREOF FOR MAKING POLYPEPTIDES WITH MANY INSTANCES OF NONSTANDARD AMINO ACIDS YALE UNIVERSITY 2020-06-18 — — US disclosed
CN-105935445-B Pharmaceutical composition and preparation method thereof containing 2- (- 4- isobutyl phenenyl) propionic acid dextrogyre 赤峰赛林泰药业有限公司 2019-02-01 — — CN disclosed
CN-106977395-A A kind of process for purification of brufen 合肥拓锐生物科技有限公司 2017-07-25 — — CN disclosed
CN-106471064-A For preparing masterbatch and the method for sea-island fibre 巴斯夫欧洲公司 2017-03-01 — — CN disclosed
CN-106456662-A Compositions of pentosan polysulfate for oral administration and methods of use thereof 奥利金制药公司 2017-02-22 — — CN disclosed
CN-105935445-A 2-(-4-isobutylphenyl)propionic acid dextrogyre-containing pharmaceutical composition and preparation method thereof 赤峰赛林泰药业有限公司 2016-09-14 — — CN disclosed
US-9371296-B2 Bicyclic 1,3,4-oxadiazole derivatives as sphingosine-1-phosphate receptors' modulators ALLERGAN, INC. (US) 2016-06-21 — — US disclosed
US-20160137616-A1 BICYCLIC 1,3,4-OXADIAZOLE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTORS' MODULATORS ALLERGAN, INC. 2016-05-19 — — US disclosed
WO-2015108577-A1 DIPHENYL UREA DERIVATIVES AS FORMYL PEPTIDE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2015-07-23 — — WO disclosed
US-8304223-B2 Isoforms of pig liver esterase ENZYMICALS AG (DE) 2012-11-06 — — US disclosed
US-20110207186-A1 Isoforms of Pig Liver Esterase ENZYMICALS AG (DE) 2011-08-25 — — US disclosed
US-7229817-B2 Recombinant porcine liver esterases, their use and a method for the production thereof DEGUSSA AG (DE) 2007-06-12 — — US disclosed
EP-0010346-A1 Polyolefins stabilized against light-induced degradation and a light stabilizer composition therefor AMERICAN CYANAMID COMPANY (US) 1980-04-30 — — EP disclosed
US-4152498-A CORROSION RESISTANCE, HIGH MELT STABILITY, AGING AND HEAT RESISTANCE DEMIDOVA VALENTINA M (SU) 1979-05-01 — — 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-20160137616-A1 BICYCLIC 1,3,4-OXADIAZOLE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE RECEPTORS' MODULATORS S1PR3, S1PR1, S1PR4 GABBR2 537/4885GABBR1 495/4885MAPT 3562/4885
US-20110207186-A1 Isoforms of Pig Liver Esterase CES1, PIGO, PIGS GABBR2 713/4885GABBR1 1099/4885MAPT 3031/4885

“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.

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