Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL748481

CN1C2CCCC1CC(Oc1ccc(-c3ccc4sccc4c3)nn1)C2.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.44
KCNH2 Q12809 5/20 0.44
MDM2 Q00987 3/20 0.35
KDM1A O60341 1/20 0.34
IL1B P01584 1/20 0.34
NLRP3 Q96P20 1/20 0.34
HTT P42858 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CSNK2A1 P68400 1/20 0.33

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 SCHEMBL748480 1.00 CHRNA7 (0.44) CHRNA7KCNH2MDM2KDM1AIL1B
Trifluoroacetic Acid SCHEMBL990814 0.97 CHRNA7 (0.46) CHRNA7KCNH2MDM2KDM1AIL1B
Trifluoroacetic Acid SCHEMBL990815 0.97 CHRNA7 (0.46) CHRNA7KCNH2MDM2KDM1AIL1B
SCHEMBL745699 0.91 CHRNA7 (0.52) CHRNA7KCNH2KDM1AHTT
SCHEMBL745700 0.91 CHRNA7 (0.52) CHRNA7KCNH2KDM1AHTT
SCHEMBL745763 0.87 CHRNA7 (0.53) CHRNA7KCNH2KDM1AHTT
SCHEMBL745762 0.87 CHRNA7 (0.53) CHRNA7KCNH2KDM1AHTT
Trifluoroacetic Acid SCHEMBL745269 0.84 CHRNA7 (0.50) CHRNA7KCNH2IL1BNLRP3HTT
Trifluoroacetic Acid SCHEMBL744964 0.81 CHRNA7 (0.52) CHRNA7KCNH2HTTCHRNB2CHRNB4
SCHEMBL748482 0.81 KCNH2 (0.40) CHRNA7KCNH2KDM1AIL1BNLRP3

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
EP-2431368-B1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBVIE BAHAMAS LTD (BS) 2014-08-27 EP disclosed
EP-2431368-A1 CNS active fused bicycloheterocycle substituted azabicyclic alkane derivatives Abbott Laboratories (US) 2012-03-21 EP disclosed
EP-2018380-B1 Cns active fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LAB (US) 2011-10-19 EP disclosed
US-7872017-B2 Fused bicycloheterocycle substituted azabicyclic alkane derivatives ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives ABBOTT LABORATORIES (US) 2010-12-02 US disclosed
US-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES ABBVIE INC. 2008-02-21 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-20080045539-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES MALT1, BMP2, ALKBH2 CHRNA7 2776/4885KCNH2 708/4885MDM2 1134/4885
US-20100305089-A1 Fused Bicycloheterocycle Substituted Azabicyclic Alkane Derivatives MALT1, BMP2, ALKBH2 CHRNA7 2776/4885KCNH2 708/4885MDM2 1134/4885

“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.