Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3333813

CCCCOC(=O)N1CCN(C(=O)[C@@H](N)CCc2nnnn2C)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
P2RY12 Q9H244 15/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH2 P25021 3/20 0.35
HRH1 P35367 3/20 0.35

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 SCHEMBL3326803 0.85 DPP4 (0.39) DPP4DPP8P2RY12LMNAPOLB
Trifluoroacetic Acid SCHEMBL953473 0.81 P2RY12 (0.42) DPP4DPP8P2RY12LMNAPOLB
Trifluoroacetic Acid SCHEMBL315987 0.79 LMNA (0.46) DPP4DPP8P2RY12LMNAPOLB
Trifluoroacetic Acid SCHEMBL3328879 0.79 LMNA (0.46) DPP4DPP8P2RY12LMNAPOLB
SCHEMBL3330481 0.78 HRH2 (0.45) P2RY12POLBHRH2HRH1
SCHEMBL3330478 0.78 HRH2 (0.45) P2RY12POLBHRH2HRH1
Trifluoroacetic Acid SCHEMBL3330622 0.75 P2RY12 (0.42) DPP8P2RY12POLB
Trifluoroacetic Acid SCHEMBL3331143 0.75 P2RY12 (0.38) DPP4DPP8P2RY12LMNAPOLB
SCHEMBL522822 0.75 LMNA (0.54) DPP4P2RY12LMNAPOLBSMN1; SMN2
SCHEMBL523223 0.75 LMNA (0.54) DPP4DPP8P2RY12LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 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-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 DPP4 2699/4885DPP8 2973/4885P2RY12 1/4885

“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.