Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4092698

COc1ccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1N.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.55
ITGA2B P08514 10/20 0.55
ITGA4 P13612 1/20 0.54
ITGB7 P26010 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
FPR2 P25090 1/20 0.52
ITGAV P06756 1/20 0.51
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 2/20 0.50
AAK1 Q2M2I8 1/20 0.49
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48

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 SCHEMBL4097339 1.00 ITGB3 (0.55) ITGB3ITGA2BITGA4ITGB7MEN1
SCHEMBL29107666 0.86 ITGA4 (0.56) ITGB3ITGA2BITGA4ITGB7MEN1
Trifluoroacetic Acid SCHEMBL3051082 0.83 ITGB3 (0.55) ITGB3ITGA2BITGAVALDH1A1ALOX15
SCHEMBL14562475 0.82 ITGA4 (0.56) ITGB3ITGA2BITGA4ITGB7MEN1
SCHEMBL14562452 0.82 ITGA4 (0.56) ITGB3ITGA2BITGA4ITGB7MEN1
SCHEMBL9825306 0.81 ITGA4 (0.57) ITGB3ITGA2BITGA4ITGB7MEN1
SCHEMBL18928696 0.81 ITGA4 (0.56) ITGB3ITGA2BITGA4ITGB7FPR2
SCHEMBL8586533 0.81 ITGB3 (0.57) ITGB3ITGA2BITGAVCTSLCTSB
SCHEMBL4082106 0.80 ALDH1A1 (0.53) ITGB3ITGA2BITGA4ITGB7MEN1
SCHEMBL4089152 0.80 ALDH1A1 (0.53) ITGB3ITGA2BITGA4ITGB7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 US disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 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-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST ITGB3 2258/4885ITGA2B 1039/4885ITGA4 1185/4885

“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.