Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1655962

COc1ccc(CCNCCCn2nc3c(c2C(=O)O)CCc2cnccc2-3)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.40
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
SMPD1 P17405 1/20 0.35
AURKA O14965 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
ATM Q13315 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TRPV1 Q8NER1 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 SCHEMBL4263847 0.93 TAS1R3 (0.35) ROCK2KMT2AMEN1AURKACCNA2
Trifluoroacetic Acid SCHEMBL4267640 0.92 CCNA2 (0.32) ROCK2ALDH1A1KMT2AMEN1AURKA
Trifluoroacetic Acid SCHEMBL4270585 0.91 CDK2 (0.33) ROCK2AURKACCNA2CDK2CCNA1
Trifluoroacetic Acid SCHEMBL1656607 0.91 CDK2 (0.36) ROCK2AURKACCNA2CDK2CCNA1
Trifluoroacetic Acid SCHEMBL1658735 0.90 NAMPT (0.40) ROCK2ALDH1A1KMT2AMEN1SMPD1
Trifluoroacetic Acid SCHEMBL1655955 0.90 HTR5A (0.35) ROCK2AURKACCNA2CDK2CCNA1
Trifluoroacetic Acid SCHEMBL1655852 0.90 AURKA (0.32) ROCK2AURKACCNA2CDK2CCNA1
Trifluoroacetic Acid SCHEMBL4258276 0.90 ROCK2 (0.32) ROCK2AURKACCNA2CDK2CCNA1
SCHEMBL1655963 0.90 ROCK2 (0.39) ROCK2ALDH1A1KMT2AMEN1SMPD1
Trifluoroacetic Acid SCHEMBL4259039 0.89 HTR5A (0.38) ROCK2AURKACCNA2CDK2CCNA1

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
WO-2011041784-A1 METHODS FOR DIAGNOSING AND TREATING CANCER MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-04-07 WO 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

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 538/4885ALDH1A1 1762/4885KMT2A 3165/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 ROCK2 571/4885ALDH1A1 3467/4885KMT2A 2527/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 ROCK2 317/4885ALDH1A1 4449/4885KMT2A 1257/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 ROCK2 571/4885ALDH1A1 3467/4885KMT2A 2527/4885

“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.