Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4043668

Cc1ncccc1-c1c(C#N)c(C(N)=O)c2n1CCNC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
HTR2A P28223 4/20 0.33
HTR2C P28335 4/20 0.33
PIK3CD O00329 1/20 0.33
CYP2D6 P10635 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PARP1 P09874 2/20 0.32
RAD52 P43351 1/20 0.32
UBE2N P61088 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CSNK1D P48730 1/20 0.31
CSNK1E P49674 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 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
SCHEMBL4047712 0.94 MKNK1 (0.38) MKNK1MKNK2HTR2AHTR2CPIK3CD
Trifluoroacetic Acid SCHEMBL4039701 0.84 CYP11B2 (0.33) HTR2AHTR2CHTR2B
Trifluoroacetic Acid SCHEMBL4036656 0.83 MKNK1 (0.36) MKNK1MKNK2HTR2AHTR2CCYP2D6
Trifluoroacetic Acid SCHEMBL4042312 0.82 HTR2A (0.40) HTR2AHTR2CPARP1CSNK1EALDH1A1
Trifluoroacetic Acid SCHEMBL4039390 0.75 HTR2A (0.32) HTR2AHTR2C
SCHEMBL4039352 0.74 SQOR (0.41) PARP1CSNK1DCSNK1E
Trifluoroacetic Acid SCHEMBL4038370 0.72 CSNK1E (0.36) HTR2AHTR2CCSNK1DCSNK1E
Trifluoroacetic Acid SCHEMBL4040207 0.70 ACVR1 (0.35) HTR2AHTR2CCYP1A2
Trifluoroacetic Acid SCHEMBL4041619 0.70 CSNK1E (0.33) CSNK1E
Trifluoroacetic Acid SCHEMBL4036264 0.69 HTR2A (0.40) HTR2AHTR2CPARP1CSNK1E

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
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 US disclosed
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 MKNK1 48/4885MKNK2 50/4885HTR2A 3774/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS MKNK1 231/4885MKNK2 227/4885HTR2A 2366/4885

“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.