Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1655702

NCCCn1nc2c(c1C(=O)O)CCc1cc(O)c(-c3ccc([N+](=O)[O-])cc3)cc1-2.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
KCNJ1 P48048 1/20 0.33
CDK2 P24941 2/20 0.32
CCNA2 P20248 1/20 0.32
CCNA1 P78396 1/20 0.32
PDPK1 O15530 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
AKR1C3 P42330 2/20 0.31
AKR1C2 P52895 2/20 0.31
IKBKB O14920 1/20 0.31
OPRD1 P41143 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
ALKBH5 Q6P6C2 1/20 0.30
PTGS2 P35354 1/20 0.30

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 SCHEMBL1656588 0.91 GABRA1 (0.37) KDM1AGABRA1GABRB2CDK2CCNA2
Trifluoroacetic Acid SCHEMBL6793455 0.88 KDM1A (0.36) KDM1ACDK2PDPK1OPRD1
Trifluoroacetic Acid SCHEMBL6794064 0.88 NR1H4 (0.33) CDK2PDPK1AKR1C3AKR1C2OPRD1
SCHEMBL1655704 0.88 GABRA1 (0.32) KDM1AGABRA1GABRB2CDK2CCNA2
Trifluoroacetic Acid SCHEMBL6791711 0.88 BRAF (0.38) KDM1ACDK2PDPK1OPRD1
Trifluoroacetic Acid SCHEMBL6791782 0.87 PDPK1 (0.33) CDK2PDPK1OPRD1
Trifluoroacetic Acid SCHEMBL1655982 0.86 KDM1A (0.35) KDM1AGABRA1GABRB2CDK2CCNA2
Trifluoroacetic Acid SCHEMBL6794225 0.86 PDPK1 (0.35) CDK2PDPK1OPRD1
Trifluoroacetic Acid SCHEMBL6792875 0.84 GABRA1 (0.34) GABRA1GABRB2CDK2PDPK1OPRD1
Trifluoroacetic Acid SCHEMBL6792278 0.84 RORC (0.36) CDK2PDPK1OPRD1

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 12 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
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
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 KDM1A 3478/4885GABRA1 4846/4885GABRB2 4772/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 KDM1A 3716/4885GABRA1 4750/4885GABRB2 4478/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 KDM1A 2843/4885GABRA1 3533/4885GABRB2 2582/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 KDM1A 3716/4885GABRA1 4750/4885GABRB2 4478/4885

“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.