Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL22491990

CC(=O)O.CC1CNC1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Trifluoroacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB4 known ✓ P30926 2/20 0.34
CHRNA3 known ✓ P32297 2/20 0.34
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
CHRNA7 P36544 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
FFAR3 O14843 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
KCNH2 Q12809 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL34467355 0.80 SLC6A2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4SLC6A2
Trifluoroacetic Acid SCHEMBL928724 0.78 CCR5 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4SLC6A2
Trifluoroacetic Acid SCHEMBL2895465 0.78 CHRNA7 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4SLC6A2
Trifluoroacetic Acid SCHEMBL4831016 0.78 CCR5 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4SLC6A2
Trifluoroacetic Acid SCHEMBL48017 0.78 MAN1B1 (0.36) SLC6A2SLC6A4SLC6A3CHRNA7CYP1A2
Trifluoroacetic Acid SCHEMBL30496656 0.77 CYP2D6 (0.33) CHRNB2CHRNA3CHRNA4SLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL1977391 0.77 FFAR3 (0.54) CYP2D6CYP2C19FFAR3LCKFYN
Trifluoroacetic Acid SCHEMBL5242831 0.77 FFAR3 (0.54) CYP2D6CYP2C19FFAR3LCKFYN
Trifluoroacetic Acid SCHEMBL30619382 0.77 FFAR3 (0.54) CYP2D6CYP2C19FFAR3LCKFYN
Trifluoroacetic Acid SCHEMBL479935 0.77 FFAR3 (0.54) CYP2D6CYP2C19FFAR3LCKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230061736-A1 GPR119 AGONISTS KALLYOPE, INC. 2023-03-02 US disclosed
US-11339165-B2 Pyrazolopyrimidines having activity against the respiratory syncytial virus (RSV) Janssen Sciences Ireland Unlimited Company (IE) 2022-05-24 US disclosed
US-20220153719-A1 GPR119 AGONISTS KALLYOPE, INC. 2022-05-19 US disclosed
WO-2021071837-A1 GPR119 AGONISTS KALLYOPE, INC. (US) 2021-04-15 WO disclosed
US-20200361942-A1 PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) Janssen Sciences Ireland Unlimited Company (IE) 2020-11-19 US disclosed
EP-3717486-A1 PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) Janssen Sciences Ireland Unlimited Company (IE) 2020-10-07 EP 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 (4 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-20200361942-A1 PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) RRP15, MAVS, ACE CHRNB4 4680/4885CHRNA3 4747/4885CHRNB2 4787/4885
US-11339165-B2 Pyrazolopyrimidines having activity against the respiratory syncytial virus (RSV) RRP15, MAVS, ACE CHRNB4 4680/4885CHRNA3 4747/4885CHRNB2 4787/4885
US-20230061736-A1 GPR119 AGONISTS GPR119, GLP1R, GCGR CHRNB4 459/4885CHRNA3 352/4885CHRNB2 412/4885
US-20220153719-A1 GPR119 AGONISTS GPR119, GLP1R, GCGR CHRNB4 459/4885CHRNA3 352/4885CHRNB2 412/4885

“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.