Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7747731

NC(CNC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OCc3ccccc3)CC2)C1)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.63
ITGA2B P08514 14/20 0.63
F2R P25116 7/20 0.48
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
PARP1 P09874 1/20 0.41

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 SCHEMBL7500212 0.97 ITGB3 (0.60) ITGB3ITGA2BF2RHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL7500055 0.89 ITGB3 (0.60) ITGB3ITGA2BF2RHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL7500524 0.88 ITGB3 (0.59) ITGB3ITGA2BF2RHTTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL7747734 0.86 ITGB3 (0.58) ITGB3ITGA2BF2R
Trifluoroacetic Acid SCHEMBL7500215 0.84 ITGB3 (0.54) ITGB3ITGA2BF2R
SCHEMBL7504164 0.84 ITGB3 (0.74) ITGB3ITGA2BF2RHTTSMN1; SMN2
SCHEMBL7505296 0.84 ITGB3 (0.62) ITGB3ITGA2BF2RHTTSMN1; SMN2
SCHEMBL7446986 0.83 ITGB3 (0.73) ITGB3ITGA2BF2RHTTSMN1; SMN2
SCHEMBL7500565 0.83 ITGB3 (0.72) ITGB3ITGA2BF2RHTTSMN1; SMN2
SCHEMBL7508377 0.81 ITGB3 (0.65) ITGB3ITGA2BF2RHTTSMN1; SMN2

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-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-13 US disclosed
EP-0669912-B1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-12-05 EP disclosed
EP-1106606-A2 N-(3-piperidinylcarbonyl)-beta-alanine derivatives as paf antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-13 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 (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-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof F13B, FGB, TGFB1 ITGB3 52/4885ITGA2B 14/4885F2R 234/4885

“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.