Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL14799358

NCCC1(C(=O)N[C@@H](Cc2ccc(NC(=O)c3c(Cl)cccc3Cl)cc2)C(=O)O)CCCC1.O=C(O)C(F)(F)F

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.91
ITGA4 P13612 20/20 0.91

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
SCHEMBL14799397 0.95 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL6629363 0.95 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL14799361 0.88 ITGB1 (0.74) ITGB1ITGA4
SCHEMBL6627015 0.88 ITGB1 (1.00) ITGB1ITGA4
SCHEMBL6625626 0.86 ITGB1 (0.83) ITGB1ITGA4
SCHEMBL20387801 0.86 ITGB1 (0.83) ITGB1ITGA4
SCHEMBL14799323 0.86 ITGB1 (0.83) ITGB1ITGA4
SCHEMBL6628051 0.85 ITGB1 (0.84) ITGB1ITGA4
SCHEMBL20045967 0.85 ITGB1 (0.84) ITGB1ITGA4
SCHEMBL6627822 0.85 ITGB1 (1.00) ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130079383-A1 Lipid Compounds Targeting VLA-4 ARROWHEAD RESEARCH CORPORATION (US) 2013-03-28 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-20130079383-A1 Lipid Compounds Targeting VLA-4 LPAR4, ASGR1, VCAM1 ITGB1 20/4885ITGA4 4/4885

“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.