Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1786802

CNC(=O)c1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.52
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC2 Q92769 2/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HDAC3 O15379 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
IDO1 P14902 1/20 0.48
ALOX15 P16050 1/20 0.48
HDAC1 Q13547 1/20 0.48
CA9 Q16790 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
EPHX1 P07099 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL6100 0.87 HDAC8 (0.62) HDAC8HDAC6HDAC2NPC1RAB9A
Hydrochloric Acid SCHEMBL5075431 0.85 HDAC8 (0.60) HDAC8HDAC6HDAC2NPC1RAB9A
Hydrochloric Acid SCHEMBL2915137 0.85 HDAC8 (0.60) HDAC8HDAC6HDAC2NPC1RAB9A
SCHEMBL29273718 0.85 HDAC8 (0.60) HDAC8HDAC6HDAC2NPC1RAB9A
SCHEMBL7796539 0.85 HDAC8 (0.60) HDAC8HDAC6HDAC2NPC1RAB9A
Methane SCHEMBL15893673 0.85 HDAC8 (0.67) HDAC8HDAC6HDAC2NPC1RAB9A
SCHEMBL11130438 0.85 HDAC8 (0.60) HDAC8HDAC6HDAC2NPC1RAB9A
Dimethylamine SCHEMBL10918737 0.85 HDAC8 (0.60) HDAC8HDAC6HDAC2NPC1RAB9A
Hydrochloric Acid SCHEMBL5866386 0.85 HDAC8 (0.60) HDAC8HDAC6HDAC2NPC1RAB9A
SCHEMBL8019806 0.85 HDAC8 (0.60) HDAC8HDAC6HDAC2NPC1RAB9A

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1326858-C tricyclic spiropiperidine compounds ASTRAZENECA AB (SE) 2007-07-18 CN claimed
CN-1675218-A Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2005-09-28 CN claimed
US-11820773-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2023-11-21 US disclosed
US-20220169650-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-06-02 US disclosed
CN-110452229-A Deuterated Defactinib compound and application thereof HINOVA PHARMACEUTICALS INC 2019-11-15 CN disclosed
US-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 US disclosed
EP-2074083-B1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-06-19 EP disclosed
US-8198232-B2 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level ARENA PHARMACEUTICALS, INC. (US) 2012-06-12 US disclosed
CN-101184758-B Novel compounds GLAXO GROUP LTD 2012-05-02 CN disclosed
US-8030270-B2 Methods for identifying GLP-1 secretagogues ARENA PHARMACEUTICALS, INC. (US) 2011-10-04 US disclosed
US-8022034-B2 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level ARENA PHARMACEUTICALS, INC. (US) 2011-09-20 US disclosed
WO-2008121065-A1 NOVEL PYRROLIDINE DERIVATIVES AS ANTAGONISTS OF THE CHEMOKINE RECEPTOR ASTRAZENECA AB (SE) 2008-10-09 WO disclosed
CN-101128192-A Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing blood GLP-1 levels ARENA PHARMACEUTICALS (US) 2008-02-20 CN disclosed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
CN-1326858-C tricyclic spiropiperidine compounds ASTRAZENECA AB (SE) 2007-07-18 CN disclosed
CN-1974574-A Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2007-06-06 CN disclosed
US-20070072804-A1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level ARENA PHARMACEUTICALS (US) 2007-03-29 US disclosed
US-20070072803-A1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level ARENA PHARMACEUTICALS (US) 2007-03-29 US disclosed
US-20060154866-A1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level ARENA PHARMACEUTICALS, INC. 2006-07-13 US disclosed
CN-1675218-A Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2005-09-28 CN 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-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders CNR2, GRIN2C, GRIN2B CES1 842/4885HDAC8 318/4885HDAC6 222/4885
US-20070072803-A1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level GLP1R, GPR119, GIPR CES1 435/4885HDAC8 1903/4885HDAC6 2322/4885
US-20070072804-A1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level GLP1R, GPR119, GIPR CES1 435/4885HDAC8 1903/4885HDAC6 2322/4885
US-20220169650-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL CES1 162/4885HDAC8 97/4885HDAC6 12/4885
US-20060154866-A1 Combination therapy for the treatment of diabetes and conditions related thereto and for the treatment of conditions ameliorated by increasing a blood GLP-1 level GLP1R, GPR119, GIPR CES1 435/4885HDAC8 1903/4885HDAC6 2322/4885
US-11820773-B2 Tricyclic compounds SLC10A1, PKD1, CEL CES1 162/4885HDAC8 97/4885HDAC6 12/4885

“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.