Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4259030

O=C(O)C(F)(F)F.O=C(O)c1c2c(nn1CCCNCCc1ccc(-c3cccc(C(F)(F)F)c3)cc1)-c1ccncc1CC2

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.37
KCNK3 O14649 3/20 0.37
S1PR5 Q9H228 1/20 0.36
SLC13A5 Q86YT5 1/20 0.36
DHODH Q02127 2/20 0.35
ROCK2 O75116 2/20 0.34
DGAT2 Q96PD7 1/20 0.34
SLC2A1 P11166 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
HTR5A P47898 2/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
PLK1 P53350 1/20 0.33
CCNA1 P78396 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
HTR1D P28221 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 SCHEMBL4257275 0.94 HTR5A (0.34) KCNK3ROCK2SLC2A1ADRB2ADRB1
Trifluoroacetic Acid SCHEMBL4259039 0.93 HTR5A (0.38) S1PR1ROCK2ADRB2ADRB1ADRB3
Trifluoroacetic Acid SCHEMBL4262242 0.92 ADRB3 (0.37) ROCK2SLC2A1ADRB1ADRB3HTR5A
Trifluoroacetic Acid SCHEMBL4265955 0.91 HTR5A (0.34) ROCK2SLC2A1ADRB2ADRB1ADRB3
Trifluoroacetic Acid SCHEMBL4262273 0.91 HTR5A (0.38) ADRB2ADRB1ADRB3HTR5AHTR1A
Trifluoroacetic Acid SCHEMBL1655955 0.91 HTR5A (0.35) ROCK2ADRB2ADRB1ADRB3HTR5A
Trifluoroacetic Acid SCHEMBL6786988 0.90 HTR5A (0.36) S1PR1ROCK2ADRB2ADRB1ADRB3
SCHEMBL4259036 0.90 KCNK3 (0.36) S1PR1KCNK3S1PR5SLC13A5DHODH
Trifluoroacetic Acid SCHEMBL4263985 0.90 ADRB3 (0.37) SLC2A1ADRB2ADRB1ADRB3HTR5A
Trifluoroacetic Acid SCHEMBL4257192 0.89 HTR5A (0.33) ADRB2ADRB1ADRB3HTR5ACCNA2

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 S1PR1 1955/4885KCNK3 4509/4885S1PR5 1946/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 S1PR1 3612/4885KCNK3 4056/4885S1PR5 3970/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 S1PR1 3083/4885KCNK3 512/4885S1PR5 1962/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 S1PR1 3612/4885KCNK3 4056/4885S1PR5 3970/4885

“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.