Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4839422

CCOC(=O)N1CCC(NCCOc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 2/20 0.43
PRMT5 O14744 2/20 0.42
CHEK2 O96017 4/20 0.41
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
CHRM2 P08172 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM3 P20309 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
NOS3 P29474 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
SCHEMBL5258478 0.95 KDM4E (0.47) KDM4EHSD17B10PRMT5CHEK2HRH2
Trifluoroacetic Acid SCHEMBL4846315 0.89 CYP3A4 (0.43) KDM4EHSD17B10PRMT5CHEK2ALDH1A1
SCHEMBL5260412 0.87 CHEK2 (0.41) KDM4EPRMT5CHEK2ALDH1A1
Trifluoroacetic Acid SCHEMBL4844409 0.87 ALDH1A1 (0.46) KDM4ECHEK2ALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL4843340 0.86 CHEK2 (0.40) KDM4ECHEK2ALDH1A1MEN1KMT2A
SCHEMBL5259501 0.85 KDM4E (0.36) KDM4EHSD17B10CHEK2HRH2HRH1
SCHEMBL4841988 0.85 SMN1; SMN2 (0.42) KDM4EHSD17B10PRMT5CHEK2HRH2
Trifluoroacetic Acid SCHEMBL4840418 0.84 TBK1 (0.39) KDM4ECHEK2ALDH1A1MEN1KMT2A
SCHEMBL4838134 0.83 CYP3A4 (0.47) KDM4EHSD17B10PRMT5ALDH1A1MEN1
Trifluoroacetic Acid SCHEMBL4837609 0.80 TRPV3 (0.39) CHEK2ALDH1A1

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 3 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

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-20050261333-A1 Use of and some novel imidazopyridines ITK, CSNK1A1, RPS6KA1 KDM4E 2903/4885HSD17B10 2866/4885PRMT5 707/4885

“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.