Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL507291

C1=Cc2ccccc2C=CN1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 6/20 0.42
▸ KDM1A O60341 3/20 0.37
▸ CPA1 P15085 1/20 0.35
▸ CYP1A2 P05177 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ FAAH O00519 3/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ P2RX4 Q99571 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32

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
Acetone SCHEMBL28779633 0.79 SMN1; SMN2 (0.37) CES1MAPK1P2RX4
Succinic Acid SCHEMBL165702 0.78 NR4A2 (0.47) CYP1A2MAPK1HDAC6CYP2D6
Fumaric Acid SCHEMBL5330585 0.78 HCAR2 (0.43) HDAC6CYP2D6
Fumaric Acid SCHEMBL165681 0.78 HCAR2 (0.43) HDAC6CYP2D6
Maleic Acid SCHEMBL29935550 0.78 HCAR2 (0.43) HDAC6CYP2D6
SCHEMBL164600 0.78 PARP1 (0.42) —
Citric Acid SCHEMBL165526 0.77 ALDH1A1 (0.50) CYP1A2CYP2D6
Trifluoroacetic Acid SCHEMBL2246823 0.77 CES1 (0.36) CES1KDM1ACPA1CYP1A2TDP1
Trifluoroacetic Acid SCHEMBL28409805 0.75 PARP1 (0.66) CES1KDM1ATDP1MAPK1
Methyl Alcohol SCHEMBL15757621 0.75 PARP1 (0.38) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 — — US disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 — — US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 — — US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 — — US disclosed
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders GLAXO GROUP LIMITED (GB) 2007-08-09 — — 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 (3 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 CES1 2724/4885KDM1A 1832/4885CPA1 3796/4885
US-20070185089-A1 Benzazepine derivatives for the treatment of neurological and psychiatric disorders CNR2, GRIN2C, GRIN2B CES1 842/4885KDM1A 1201/4885CPA1 2753/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A CES1 2224/4885KDM1A 1338/4885CPA1 2797/4885

“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.