Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4840394

Cn1cncc1CNc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.35
HPSE Q9Y251 2/20 0.35
ITK Q08881 2/20 0.33
GSK3B P49841 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DYRK1A Q13627 1/20 0.33
INSR P06213 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
MMP2 P08253 3/20 0.33
MMP9 P14780 3/20 0.33
MMP8 P22894 3/20 0.33
MMP13 P45452 3/20 0.33
NAMPT P43490 1/20 0.33
BRD4 O60885 1/20 0.33
MAPK1 P28482 1/20 0.33
MAP3K8 P41279 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL5256405 0.91 NPC1 (0.34) HPSEITKGSK3BTP53MAPT
Trifluoroacetic Acid SCHEMBL4842861 0.82 HPSE (0.38) HPSEMMP2MMP9MMP8MMP13
Trifluoroacetic Acid SCHEMBL4838725 0.81 MMP2 (0.34) HPSETP53MAPTSMN1; SMN2MMP2
Trifluoroacetic Acid SCHEMBL4846619 0.81 MMP2 (0.35) HPSETP53MAPTSMN1; SMN2MMP2
Trifluoroacetic Acid SCHEMBL4845870 0.81 TAAR1 (0.41) HPSE
Trifluoroacetic Acid SCHEMBL4842221 0.81 NPC1 (0.52) TP53MAPTSMN1; SMN2MAPK1NPC1
Trifluoroacetic Acid SCHEMBL5259763 0.80 MMP2 (0.35) HPSEMAPTSMN1; SMN2MMP2MMP9
Trifluoroacetic Acid SCHEMBL4845670 0.80 FFAR1 (0.42) HPSE
Trifluoroacetic Acid SCHEMBL4841466 0.80 NPC1 (0.35) HPSETP53MAPTSMN1; SMN2MMP2
Trifluoroacetic Acid SCHEMBL4839090 0.80 GPR6 (0.43) MMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410966-B2 Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2008-08-12 US disclosed
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP disclosed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 US disclosed
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 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 (2 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-20050261333-A1 Use of and some novel imidazopyridines ITK, CSNK1A1, RPS6KA1 SYK 682/4885HPSE 4318/4885ITK 1/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 SYK 3263/4885HPSE 3360/4885ITK 4334/4885

“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.