Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4256997

COc1ccc(CCNCCCn2nc3c(c2C(=O)O)CCc2cnccc2-3)cc1Br.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NAMPT P43490 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
PLK1 P53350 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMPD1 P17405 1/20 0.32
TP53 P04637 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
ROCK2 O75116 3/20 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 SCHEMBL1658735 0.94 NAMPT (0.40) MEN1KMT2ANAMPTKDM4EALDH1A1
SCHEMBL4257002 0.90 MEN1 (0.34) MEN1KMT2ANAMPTKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL1655962 0.89 ROCK2 (0.40) MEN1KMT2AALDH1A1LMNASMPD1
Trifluoroacetic Acid SCHEMBL1655852 0.88 AURKA (0.32) ROCK2
Trifluoroacetic Acid SCHEMBL4267640 0.86 CCNA2 (0.32) MEN1KMT2AKDM4EALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL4271415 0.86 AURKA (0.32) ROCK2
Trifluoroacetic Acid SCHEMBL4270585 0.86 CDK2 (0.33) NAMPTROCK2
Trifluoroacetic Acid SCHEMBL4258489 0.86 ROCK2 (0.34) TP53ROCK2
Trifluoroacetic Acid SCHEMBL4262255 0.85 ROCK2 (0.38) KMT2AKDM4EALDH1A1GAAROCK2
Trifluoroacetic Acid SCHEMBL1656607 0.85 CDK2 (0.36) NAMPTHSD17B10ROCK2

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 6 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-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 MEN1 673/4885KMT2A 3165/4885NAMPT 681/4885
US-20140037755-A1 Mapkap Kinase-2 as a Specific Target for Blocking Proliferation of P53-Defective Cells MAPKAPK2, MAPKAP1, MAP3K2 MEN1 2960/4885KMT2A 2527/4885NAMPT 825/4885
US-20040127492-A1 Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MKNK2, MAPKAPK2, MAP3K2 MEN1 1382/4885KMT2A 1257/4885NAMPT 658/4885
US-20090010927-A1 Mapkap kinase-2 as a specific target for blocking proliferation of P53-defective cells MAPKAPK2, MAPKAP1, MAP3K2 MEN1 2960/4885KMT2A 2527/4885NAMPT 825/4885

“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.