Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2569100

CN(C)C(=O)C1CNC1.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
DPP4 P27487 1/20 0.35
KCNH2 Q12809 1/20 0.33
CHRNA7 P36544 1/20 0.31
GLI1 P08151 1/20 0.31
SLC6A1 P30531 2/20 0.31
SLC6A11 P48066 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31
NOTUM Q6P988 1/20 0.30

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 SCHEMBL3006379 0.86 GABRA5 (0.38) CYP2D6GLI1SLC6A1SLC6A11TSHR
Trifluoroacetic Acid SCHEMBL3008464 0.86 GABRA5 (0.38) CYP2D6GLI1SLC6A1SLC6A11TSHR
SCHEMBL2240640 0.85
Hydrochloric Acid SCHEMBL1713246 0.83 DPP4 (0.41) SLC6A2SLC6A4SLC6A3CYP2D6DPP4
Trifluoroacetic Acid SCHEMBL5908361 0.83 SLC6A1 (0.51) SLC6A2SLC6A4CYP2D6DPP4GLI1
Trifluoroacetic Acid SCHEMBL17372956 0.81 GABRP (0.45) SLC6A2SLC6A4CYP2D6GLI1TSHR
Trifluoroacetic Acid SCHEMBL34467355 0.78 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL30385180 0.77 SLC6A1 (0.45) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL2918598 0.77 SLC6A1 (0.40) SLC6A2SLC6A4SLC6A3CYP2D6DPP4
Trifluoroacetic Acid SCHEMBL3271739 0.76 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3666770-A1 NOVEL HETEROCYCLIC COMPOUNDS AS CDK8/19 INHIBITORS Joint Stock Company "Biocad" (RU) 2020-06-17 EP disclosed
US-9346816-B2 6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-24 US disclosed
US-20140066428-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-06 US disclosed
EP-2384328-B1 6,7,8,9-TETRAHYDRO-5H-1,4,7,10A-TETRAAZA-CYCLOHEPT[F]INDENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM INT (DE) 2013-02-13 EP disclosed
US-20120165304-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
EP-2384328-A1 6,7,8,9-TETRAHYDRO-5H-1,4,7,10A-TETRAAZA-CYCLOHEPT[F]INDENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THEM Boehringer Ingelheim International GmbH (DE) 2011-11-09 EP disclosed
WO-2010060952-A1 6,7,8,9-TETRAHYDRO-5H-1,4,7,10A-TETRAAZA-CYCLOHEPT[F]INDENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-03 WO 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-20120165304-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them HTR1A, HTR2C, TPH1 SLC6A2 710/4885SLC6A4 320/4885SLC6A3 790/4885
US-20140066428-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them HTR1A, HTR2C, TPH1 SLC6A2 707/4885SLC6A4 304/4885SLC6A3 804/4885

“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.