Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6167469

O=C(O)C(F)(F)F.O=C(O)CC(c1ccc(F)cc1)c1c[nH]c2cc(OCCCNC3=NC(=O)CN3)ccc12

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.36
ITGAV P06756 5/20 0.36
ITGB1 P05556 3/20 0.36
ITGA5 P08648 1/20 0.36
HAT1 O14929 2/20 0.36
EP300 Q09472 2/20 0.36
MGAM O43451 2/20 0.33
GAA P10253 2/20 0.33
SI P14410 2/20 0.33
MGAM2 Q2M2H8 2/20 0.33
TDO2 P48775 2/20 0.33
ITGB5 P18084 2/20 0.33
ITGB6 P18564 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33

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
SCHEMBL6163090 0.98 HAT1 (0.37) ITGB3ITGAVITGB1ITGA5HAT1
Trifluoroacetic Acid SCHEMBL6167605 0.94 ITGB3 (0.39) ITGB3ITGAVITGB1HAT1EP300
Trifluoroacetic Acid SCHEMBL6167317 0.93 FFAR1 (0.35) ITGB3ITGAVITGB1MGAMGAA
SCHEMBL6693178 0.92 HAT1 (0.34) ITGB3ITGAVITGB1ITGA5HAT1
SCHEMBL6164187 0.91 ITGB3 (0.39) ITGB3ITGAVITGB1HAT1EP300
SCHEMBL6164116 0.90 ITGB3 (0.33) ITGB3ITGAVITGB1MGAMGAA
Trifluoroacetic Acid SCHEMBL6696848 0.89 ITGB3 (0.31) ITGB3ITGAVITGB1ITGB5ITGB6
Trifluoroacetic Acid SCHEMBL6163218 0.88 ITGB3 (0.43) ITGB3ITGAVITGB1ITGA5HAT1
SCHEMBL6702745 0.86 MGAM (0.35) ITGB3ITGAVITGB1HAT1EP300
Trifluoroacetic Acid SCHEMBL6698561 0.85 ITGB3 (0.37) ITGB3ITGAVITGB1ITGA5HAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254133-B9 INDOL-3-YL DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2005-09-07 EP disclosed
EP-1254133-B1 INDOL-3-YL DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2005-04-20 EP disclosed
US-20040138284-A1 Indol-3-yl derivatives WIESNER MATTHIAS 2004-07-15 US disclosed
US-6743810-B2 INTEGRIN INHIBITORS; TUMORS, OSTEOPOROSIS, OSTEOLYTIC DISEASES, SUPPRESSING ANGIOGENESIS, ANTITHROMBOTIC MERCK PATENT GMBH (DE) 2004-06-01 US disclosed
US-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation MERCK PATENT GMBH (DE) 2003-03-06 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 (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-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation IGF1R, IDO1, ITGB3 ITGB3 3/4885ITGAV 67/4885ITGB1 4/4885
US-20040138284-A1 Indol-3-yl derivatives ITGB3, ITGB1, IGF1R ITGB3 1/4885ITGAV 35/4885ITGB1 2/4885

“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.