Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4258489

O=C(O)C(F)(F)F.O=C(O)c1c2c(nn1CCCNCCc1ccc(Cl)c(Cl)c1)-c1ccncc1CC2

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.34
SMYD2 Q9NRG4 3/20 0.34
SIGMAR1 Q99720 4/20 0.34
TRPV1 Q8NER1 2/20 0.33
SLC2A1 P11166 1/20 0.32
NR1I3 Q14994 1/20 0.32
TP53 P04637 1/20 0.31
LIPG Q9Y5X9 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 SCHEMBL4264410 0.92 ROCK2 (0.37) ROCK2TP53
Trifluoroacetic Acid SCHEMBL4262540 0.90 ROCK2 (0.41) ROCK2TRPV1SLC2A1
Trifluoroacetic Acid SCHEMBL4270585 0.90 CDK2 (0.33) ROCK2SIGMAR1SLC2A1
Trifluoroacetic Acid SCHEMBL6792394 0.89 ROCK2 (0.36) ROCK2
Trifluoroacetic Acid SCHEMBL4262255 0.89 ROCK2 (0.38) ROCK2
Trifluoroacetic Acid SCHEMBL1656607 0.89 CDK2 (0.36) ROCK2
SCHEMBL4258492 0.89 TRPV1 (0.34) ROCK2SMYD2SIGMAR1TRPV1NR1I3
Trifluoroacetic Acid SCHEMBL1655955 0.88 HTR5A (0.35) ROCK2
Trifluoroacetic Acid SCHEMBL1655852 0.88 AURKA (0.32) ROCK2
Trifluoroacetic Acid SCHEMBL4258276 0.88 ROCK2 (0.32) ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US claimed
US-9023787-B2 MAPKAP kinase-2 as a specific target for blocking proliferation of P53-defective MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-05-05 US disclosed
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-02-06 US disclosed
US-8440610-B2 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-05-14 US disclosed
US-20120252737-A1 Methods for Diagnosing and Treating Cancer MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-10-04 US disclosed
US-20090181468-A1 Methods and compositions for treating cellular proliferative diseases YAFFE MICHAEL B 2009-07-16 US disclosed
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-08 US disclosed
EP-1824498-A2 METHODS AND COMPOSITIONS FOR TREATING CELLULAR PROLIFERATIVE DISEASES THE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-08-29 EP disclosed
US-20060115453-A1 Methods and compositions for treating cellular proliferative diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-06-01 US disclosed
WO-2006053315-A2 METHODS AND COMPOSITIONS FOR TREATING CELLULAR PROLIFERATIVE DISEASES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-05-18 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 (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-20060115453-A1 Methods and compositions for treating cellular proliferative diseases MKI67, TP53, CCNC ROCK2 538/4885SMYD2 1957/4885SIGMAR1 4642/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 ROCK2 571/4885SMYD2 2427/4885SIGMAR1 4780/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 ROCK2 317/4885SMYD2 2422/4885SIGMAR1 4084/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 ROCK2 571/4885SMYD2 2427/4885SIGMAR1 4780/4885

“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.