Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3463728

COc1ccc(C(Nc2ccc(C(=N)N)cc2)C(=O)NNC(=O)c2ccco2)c(Cl)c1OC.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.44
PRSS1 P07477 9/20 0.44
F7 P08709 9/20 0.44
F10 P00742 8/20 0.44
PRSS2 P07478 2/20 0.44
F3 P13726 2/20 0.44
PRSS3 P35030 2/20 0.44
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 2/20 0.40
TSHR P16473 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 3/20 0.38
TP53 P04637 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL13162479 0.94 F2 (0.46) F2PRSS1F7F10PRSS2
Trifluoroacetic Acid SCHEMBL3464888 0.90 F7 (0.45) F2PRSS1F7F10PRSS2
Trifluoroacetic Acid SCHEMBL3463305 0.86 PRSS1 (0.50) F2PRSS1F7F10PRSS2
Trifluoroacetic Acid SCHEMBL3463698 0.86 PRSS1 (0.40) F2PRSS1F7F10PRSS2
Trifluoroacetic Acid SCHEMBL3464365 0.86 F2 (0.47) F2PRSS1F7F10PRSS2
Trifluoroacetic Acid SCHEMBL3464880 0.85 F2 (0.43) F2PRSS1F7F10PRSS2
Trifluoroacetic Acid SCHEMBL3464200 0.85 GAA (0.43) F2PRSS1F7F10PRSS2
SCHEMBL13162474 0.84 F7 (0.49) F2PRSS1F7F10PRSS2
Trifluoroacetic Acid SCHEMBL3464146 0.81 F7 (0.54) F2PRSS1F7F10PRSS2
SCHEMBL13162831 0.80 F2 (0.49) F2PRSS1F7F10PRSS2

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-20100240654-A1 HYDRAZIDE DERIVATIVES CLARK RICHARD 2010-09-23 US disclosed
US-20080132507-A1 Hydrazide Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-06-05 US disclosed
EP-1810965-A1 HYDRAZIDE DERIVATIVES Eisai R&D Management Co., Ltd. (JP) 2007-07-25 EP 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-20100240654-A1 HYDRAZIDE DERIVATIVES H1-10, H1-4, H1-3 F2 19/4885PRSS1 727/4885F7 185/4885
US-20080132507-A1 Hydrazide Derivatives H1-10, H1-4, H1-3 F2 19/4885PRSS1 727/4885F7 185/4885

“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.