Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL14745784

CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N2CCC(CN(Cc3ccccc3)Cc3ccccc3)C2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ CHRM4 P08173 4/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ RORC P51449 5/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ MGLL Q99685 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
▸ SLC6A2 P23975 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
SCHEMBL14758824 0.96 TOP1 (0.39) TOP1MCHR1KCNH2CHRM4RORC
Trifluoroacetic Acid SCHEMBL14745046 0.93 MCHR1 (0.37) TOP1MCHR1KCNH2CHRM4DPP4
SCHEMBL14745785 0.89 CHRM4 (0.36) TOP1MCHR1KCNH2CHRM4RORC
SCHEMBL14758826 0.89 MCHR1 (0.39) TOP1MCHR1KCNH2CHRM4RORC
Trifluoroacetic Acid SCHEMBL16568721 0.88 KCNH2 (0.40) TOP1MCHR1KCNH2CHRM4DPP4
Trifluoroacetic Acid SCHEMBL14744733 0.85 TOP1 (0.44) TOP1KCNH2DPP4DPP8DPP9
SCHEMBL14758838 0.84 KCNH2 (0.42) TOP1MCHR1KCNH2MGLL
Trifluoroacetic Acid SCHEMBL14745223 0.83 DYRK1A (0.42) TOP1KCNH2DPP4DPP8DPP9
SCHEMBL14745048 0.82 CHRM4 (0.35) TOP1MCHR1KCNH2CHRM4PDE3B
SCHEMBL14758825 0.82 MAPT (0.39) TOP1KCNH2PDE3BPDE3AMGLL

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
WO-2016039936-A2 MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 — — WO claimed
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-03-19 — — US claimed
EP-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 — — EP claimed
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 — — WO claimed
EP-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 — — EP disclosed
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 — — WO 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-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP TOP1 101/4885MCHR1 4817/4885KCNH2 3306/4885

“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.