Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4094711

CN1CCN(C(=O)c2ccc(Cl)c(NC3=NC(=O)/C(=C/c4ccc5ncccc5c4)S3)c2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
ENPP2 Q13822 1/20 0.39
DYRK3 O43781 2/20 0.39
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
NLRP3 Q96P20 2/20 0.37
MAPT P10636 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
GPR6 P46095 2/20 0.37
PIK3CD O00329 1/20 0.37
PIM1 P11309 1/20 0.37
CSNK2A2 P19784 1/20 0.37

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 SCHEMBL4094715 1.00 L3MBTL1 (0.42) L3MBTL1ENPP2DYRK3CDK5CDK5R1
SCHEMBL2995872 0.95 ENPP2 (0.43) ENPP2DYRK3CDK5CDK5R1ALDH1A1
SCHEMBL2995870 0.95 ENPP2 (0.43) ENPP2DYRK3CDK5CDK5R1ALDH1A1
Trifluoroacetic Acid SCHEMBL4090187 0.92 DYRK3 (0.39) DYRK3NLRP3PIK3CDPIM1CSNK2A2
Trifluoroacetic Acid SCHEMBL4090191 0.92 DYRK3 (0.39) DYRK3NLRP3PIK3CDPIM1CSNK2A2
Trifluoroacetic Acid SCHEMBL4102474 0.89 HPGD (0.37) ENPP2DYRK3GPR6PIK3CDPIM1
Trifluoroacetic Acid SCHEMBL4102468 0.89 HPGD (0.37) ENPP2DYRK3GPR6PIK3CDPIM1
Trifluoroacetic Acid SCHEMBL4087964 0.89 CCR3 (0.38) DYRK3GPR6CCR3
Trifluoroacetic Acid SCHEMBL4087957 0.89 CCR3 (0.38) DYRK3GPR6CCR3
Trifluoroacetic Acid SCHEMBL4097884 0.88 PTK2 (0.39) DYRK3ALDH1A1KDM4EPIK3CDPIK3CA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 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 (1 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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 L3MBTL1 611/4885ENPP2 954/4885DYRK3 1471/4885

“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.