Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6421732

O=C(CCCCc1ccc2c(n1)NCCC2)NC[C@H](NS(=O)(=O)c1ccccc1)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.91
ITGB3 P05106 19/20 0.91
ITGA2B P08514 2/20 0.66
ITGB1 P05556 1/20 0.61
ITGA4 P13612 1/20 0.61
ITGB6 P18564 2/20 0.54
ITGB5 P18084 1/20 0.53
ITGB8 P26012 1/20 0.53

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 SCHEMBL6424346 1.00 ITGAV (0.91) ITGAVITGB3ITGA2BITGB1ITGA4
Trifluoroacetic Acid SCHEMBL6466536 0.91 ITGB3 (0.76) ITGAVITGB3ITGA2BITGB1ITGA4
SCHEMBL6424349 0.90 ITGB3 (0.78) ITGAVITGB3ITGA2BITGB1ITGA4
Trifluoroacetic Acid SCHEMBL6424123 0.89 ITGAV (0.72) ITGAVITGB3ITGA2BITGB1ITGA4
Trifluoroacetic Acid SCHEMBL6424127 0.89 ITGAV (0.72) ITGAVITGB3ITGA2BITGB1ITGA4
Trifluoroacetic Acid SCHEMBL6423286 0.85 ITGAV (0.70) ITGAVITGB3ITGA2BITGB1ITGB6
SCHEMBL6421817 0.84 ITGAV (0.81) ITGAVITGB3ITGB1ITGA4ITGB6
SCHEMBL6421825 0.84 ITGAV (0.81) ITGAVITGB3ITGB1ITGA4ITGB6
SCHEMBL6422753 0.83 ITGAV (1.00) ITGAVITGB3ITGA2BITGB6
SCHEMBL6422836 0.83 ITGAV (1.00) ITGAVITGB3ITGA2BITGB6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040098-B1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-04-27 EP claimed
US-20020010176-A1 Integrin receptor antagonists MERCK SHARP & DOHME CORP. 2002-01-24 US claimed
EP-1040098-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-10-04 EP claimed
US-6048861-A OSTEOPOROSIS; BONE DISORDERS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATROY AGENTS; WOUND HEALING AGENTS MERCK & CO., INC. (US) 2000-04-11 US claimed
WO-1999031061-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO claimed
EP-1040098-B1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-04-27 EP disclosed
US-6784190-B2 USEFUL FOR INHIBITING BONE RESORPTION, TREATING AND PREVENTING OSTEOPOROSIS, VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, TUMOR, ATHEROSCLEROSIS, INFLAMMATION, WOUND HEALING, VIRAL DISEASEDISEASE, TUMOR MERCK & CO., INC. 2004-08-31 US disclosed
US-20020010176-A1 Integrin receptor antagonists MERCK SHARP & DOHME CORP. 2002-01-24 US disclosed
US-6297249-B1 SUBSTITUTED 2-CARBOXYALKYLPYRIDINES MERCK & CO., INC. 2001-10-02 US disclosed
EP-1040098-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-10-04 EP disclosed
US-6048861-A OSTEOPOROSIS; BONE DISORDERS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATROY AGENTS; WOUND HEALING AGENTS MERCK & CO., INC. (US) 2000-04-11 US disclosed
WO-1999031061-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 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-20020010176-A1 Integrin receptor antagonists ITGAV, ITGB3, ADGRE5 ITGAV 1/4885ITGB3 2/4885ITGA2B 17/4885

“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.