Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3835281

Nc1cccc(C(=O)NCC(=O)NC(CC(=O)O)c2ccccc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.54
ITGAV P06756 6/20 0.54
ITGB1 P05556 5/20 0.54
ITGA5 P08648 5/20 0.54
ITGB5 P18084 2/20 0.54
ITGB6 P18564 2/20 0.54
ITGB8 P26012 2/20 0.54
ITGA8 P53708 2/20 0.54
GPR139 Q6DWJ6 10/20 0.52
ITGA2B P08514 2/20 0.48
SLC6A9 P48067 2/20 0.47
MDM4 O15151 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
MDM2 Q00987 2/20 0.46

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
SCHEMBL14532475 0.94 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL3835287 0.86 GPR139 (0.48) ITGB3ITGAVITGB1ITGA5ITGB5
Trifluoroacetic Acid SCHEMBL3835291 0.84 ITGB3 (0.51) ITGB3ITGAVITGB1ITGA5ITGB5
Hydrochloric Acid SCHEMBL7138995 0.81 ITGB3 (0.54) ITGB3ITGAVITGA2BKMT2A
Hydrochloric Acid SCHEMBL7139002 0.81 ITGB3 (0.54) ITGB3ITGAVITGA2BKMT2A
SCHEMBL3835347 0.80 GPR139 (0.52) ITGB3ITGAVITGB1ITGA5GPR139
SCHEMBL14501720 0.80 GPR139 (0.72) ITGB3ITGAVITGB1ITGA5ITGB5
Trifluoroacetic Acid SCHEMBL6773199 0.79 ROCK2 (0.42) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6778499 0.77 ITGB3 (0.51) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL242674 0.77 ITGB3 (0.55) ITGB3ITGAVITGB1ITGA5ITGB5

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-1235595-B8 INTEGRIN-MEDIATED DRUG TARGETING BAYER SCHERING PHARMA AG (DE) 2009-10-07 EP disclosed
US-7220824-B1 Integrin-mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
US-20060189544-A1 Integrin-Mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2006-08-24 US disclosed
EP-1235595-A2 INTEGRIN-MEDIATED DRUG TARGETING Bayer Aktiengesellschaft (DE) 2002-09-04 EP disclosed
WO-2001017563-A2 INTEGRIN-MEDIATED DRUG TARGETING BAYER AKTIENGESELLSCHAFT (DE) 2001-03-15 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-20060189544-A1 Integrin-Mediated drug targeting ITGAV, ITGB3, ITGB1 ITGB3 2/4885ITGAV 1/4885ITGB1 3/4885

“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.