Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6941228

N=C(N)c1ccc(O)c(CNC(=O)c2ccc(-n3nc(CN)c4c3CCC4)c(C(F)(F)F)c2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
PRSS1 P07477 3/20 0.34
F2 P00734 2/20 0.34
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
ITGB2 P05107 1/20 0.33
ITGAM P11215 1/20 0.33
KLK1 P06870 1/20 0.33
KLK5 Q9Y337 1/20 0.33
F3 P13726 3/20 0.33
DDR1 Q08345 2/20 0.33
SLC2A1 P11166 1/20 0.32
EPHX2 P34913 1/20 0.32
PLG P00747 1/20 0.32
PROC P04070 1/20 0.32
PRSS2 P07478 1/20 0.32
F7 P08709 1/20 0.32

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
SCHEMBL2998879 0.97 CYP1A2 (0.36) F10CYP1A2CYP2D6CYP2C19PRSS1
SCHEMBL6939396 0.87 CYP1A2 (0.38) F10CYP1A2CYP2D6CYP2C19PRSS1
SCHEMBL2986476 0.87 CYP1A2 (0.39) F10CYP1A2CYP2D6CYP2C19PRSS1
Hydrochloric Acid SCHEMBL7071388 0.87 CYP1A2 (0.37) F10CYP1A2CYP2D6CYP2C19PRSS1
SCHEMBL7563517 0.87 CYP1A2 (0.37) F10CYP1A2CYP2D6CYP2C19PRSS1
Hydrochloric Acid SCHEMBL6942078 0.86 CYP1A2 (0.38) F10CYP1A2CYP2D6CYP2C19PRSS1
Hydrochloric Acid SCHEMBL7561338 0.86 CYP1A2 (0.37) F10CYP1A2CYP2D6CYP2C19PRSS1
SCHEMBL6942676 0.86 HPN (0.36) F10CYP1A2CYP2D6CYP2C19PRSS1
Hydrochloric Acid SCHEMBL7561554 0.85 GRIA2 (0.38) F10CYP1A2CYP2D6CYP2C19PRSS1
Hydrochloric Acid SCHEMBL7562132 0.77 F10 (0.36) F10PRSS1DDR1EPHX2PLG

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
EP-1370540-A1 ANTI-THROMBOTIC CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-12-17 EP disclosed
US-20020183519-A1 Antithrombotic carboxylic acid amides BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-05 US disclosed
WO-2002072558-A1 ANTI-THROMBOTIC CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-19 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-20020183519-A1 Antithrombotic carboxylic acid amides SERPINC1, TFPI, F2 F10 33/4885CYP1A2 176/4885CYP2D6 1073/4885

“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.