Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4036264

NC(=O)c1c(Cl)c(-c2ccccc2)n2c1CNCC2.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
CSNK1E P49674 7/20 0.38
BACE1 P56817 2/20 0.35
BTK Q06187 2/20 0.34
PARP1 P09874 1/20 0.34
SLC2A1 P11166 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CDC7 O00311 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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 SCHEMBL4042312 0.84 HTR2A (0.40) HTR2AHTR2CCSNK1EBTKPARP1
Trifluoroacetic Acid SCHEMBL4036958 0.81 MKNK1 (0.36) HTR2AHTR2CCSNK1EPARP1
Trifluoroacetic Acid SCHEMBL4037873 0.80 HTR2A (0.33) HTR2AHTR2CCSNK1E
SCHEMBL4040261 0.80 MKNK1 (0.42) HTR2AHTR2CCSNK1E
Trifluoroacetic Acid SCHEMBL4040207 0.79 ACVR1 (0.35) HTR2AHTR2CBTKSLC2A1
Trifluoroacetic Acid SCHEMBL4037121 0.77 CSNK1E (0.33) HTR2AHTR2CCSNK1E
SCHEMBL31198 0.76 CSNK1E (0.54) HTR2AHTR2CCSNK1E
Trifluoroacetic Acid SCHEMBL4038938 0.76 HTR2A (0.37) HTR2AHTR2CBACE1PARP1CDC7
Hydrochloric Acid SCHEMBL15890986 0.75 CSNK1E (0.53) HTR2AHTR2CCSNK1E
Trifluoroacetic Acid SCHEMBL4036656 0.75 MKNK1 (0.36) HTR2AHTR2CCSNK1E

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 HTR2A 3774/4885HTR2C 3204/4885CSNK1E 136/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS HTR2A 2366/4885HTR2C 1977/4885CSNK1E 243/4885

“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.