Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4263513

O=C(O)C(F)(F)F.O=C(O)c1c2c(nn1CCCNCCc1ccccc1Cl)-c1ccncc1CC2

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.39
SLC2A1 P11166 4/20 0.36
TAAR1 Q96RJ0 1/20 0.35
KCNK3 O14649 1/20 0.34
MAPT P10636 1/20 0.33
PDPK1 O15530 1/20 0.32
CDK2 P24941 1/20 0.32
P2RX7 Q99572 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
RORC P51449 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 SCHEMBL4263853 0.94 ROCK2 (0.37) ROCK2SLC2A1KCNK3MAPTPDPK1
Trifluoroacetic Acid SCHEMBL1655645 0.91 TAAR1 (0.40) ROCK2SLC2A1TAAR1KCNK3MAPT
Trifluoroacetic Acid SCHEMBL4263871 0.90 HCAR2 (0.34) ROCK2CDK2MEN1KMT2ARORC
Trifluoroacetic Acid SCHEMBL1656607 0.90 CDK2 (0.36) ROCK2PDPK1CDK2
SCHEMBL4263520 0.89 ROCK2 (0.38) ROCK2SLC2A1TAAR1KCNK3MAPT
Trifluoroacetic Acid SCHEMBL4259039 0.88 HTR5A (0.38) ROCK2PDPK1CDK2
Trifluoroacetic Acid SCHEMBL4263119 0.88 ROCK2 (0.39) ROCK2PDPK1CDK2
Trifluoroacetic Acid SCHEMBL4264410 0.88 ROCK2 (0.37) ROCK2MAPTCDK2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL1655450 0.87 NAMPT (0.41) ROCK2PDPK1CDK2
Trifluoroacetic Acid SCHEMBL4270585 0.87 CDK2 (0.33) ROCK2SLC2A1PDPK1CDK2

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 9 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
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
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US 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 538/4885SLC2A1 2458/4885TAAR1 4781/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 ROCK2 571/4885SLC2A1 2652/4885TAAR1 4521/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 ROCK2 317/4885SLC2A1 3547/4885TAAR1 3783/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 ROCK2 571/4885SLC2A1 2652/4885TAAR1 4521/4885

“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.