Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4039701

Cc1ccncc1-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 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.33
SLC22A12 Q96S37 3/20 0.33
TGFBR1 P36897 2/20 0.33
ACVR1 Q04771 2/20 0.33
CYP11B1 P15538 2/20 0.32
MAP4K1 Q92918 3/20 0.32
ATR Q13535 1/20 0.31
LCK P06239 1/20 0.31
BTK Q06187 1/20 0.31
HTR2C P28335 2/20 0.31
ABL1 P00519 2/20 0.31
PIP4K2A P48426 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2B P41595 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 SCHEMBL4040207 0.86 ACVR1 (0.35) CYP11B2SLC22A12TGFBR1ACVR1MAP4K1
Trifluoroacetic Acid SCHEMBL4036656 0.85 MKNK1 (0.36) CYP11B2CYP11B1HTR2CHTR2A
Trifluoroacetic Acid SCHEMBL4043668 0.84 MKNK1 (0.34) HTR2CHTR2AHTR2B
Trifluoroacetic Acid SCHEMBL4042312 0.80 HTR2A (0.40) BTKHTR2CHTR2A
SCHEMBL4047712 0.77 MKNK1 (0.38) HTR2CPIP4K2AHTR2A
Trifluoroacetic Acid SCHEMBL4039390 0.75 HTR2A (0.32) HTR2CHTR2A
SCHEMBL4038847 0.74 GPR119 (0.39)
Trifluoroacetic Acid SCHEMBL4038370 0.72 CSNK1E (0.36) HTR2CHTR2A
Trifluoroacetic Acid SCHEMBL4042584 0.69 CSNK1E (0.33)
Trifluoroacetic Acid SCHEMBL4036958 0.69 MKNK1 (0.36) HTR2CABL1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP disclosed
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-7432267-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMAPNY (US) 2008-10-07 US 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-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US disclosed
US-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function SALVATI MARK E 2005-12-22 US disclosed
EP-1463728-A4 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2005-12-21 EP 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-1463728-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2004-10-06 EP disclosed
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-04-22 US disclosed
WO-2003053354-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-06-19 US disclosed
EP-1299385-A2 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2003-04-09 EP disclosed
WO-2002000653-A2 FUSED CYCLIC COMPOUNDS AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-03 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 (5 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 CYP11B2 560/4885SLC22A12 3754/4885TGFBR1 2102/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS CYP11B2 1069/4885SLC22A12 4373/4885TGFBR1 1234/4885
US-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function NR2C2, NR0B2, NR0B1 CYP11B2 283/4885SLC22A12 2462/4885TGFBR1 683/4885
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 CYP11B2 170/4885SLC22A12 3334/4885TGFBR1 629/4885
US-20040077606-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 CYP11B2 170/4885SLC22A12 3334/4885TGFBR1 629/4885

“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.