Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3275665

CN1CCC[C@H]1C(N)=O.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
DPP4 P27487 3/20 0.36
DPP8 Q6V1X1 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
CHRM3 P20309 1/20 0.33
PDK2 Q15119 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
Trifluoroacetic Acid SCHEMBL30408711 1.00 CYP3A4 (0.37) CYP3A4CYP2D6DPP4DPP8DPP7
Trifluoroacetic Acid SCHEMBL30407660 1.00 CYP3A4 (0.37) CYP3A4CYP2D6DPP4DPP8DPP7
Trifluoroacetic Acid SCHEMBL30408763 0.95 CNR2 (0.34) CYP3A4CYP2D6DPP4DPP8DPP7
Trifluoroacetic Acid SCHEMBL30408078 0.95 CNR2 (0.34) CYP3A4CYP2D6DPP4DPP8DPP7
SCHEMBL153362 0.87
SCHEMBL1369765 0.87
SCHEMBL4404382 0.87
Hydrochloric Acid SCHEMBL3965022 0.85 CYP3A4 (0.42) CYP3A4CYP2D6DPP4CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL530195 0.85 CYP3A4 (0.42) CYP3A4CYP2D6DPP4CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL28784700 0.85 CYP3A4 (0.42) CYP3A4CYP2D6DPP4CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280042-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS HENNEQUIN LAURENT FRANCOIS ANDRE 2010-11-04 US disclosed
US-7696214-B2 Quinazoline derivatives for the treatment of tumours ASTRAZENECA AB (SE) 2010-04-13 US disclosed
EP-1453492-B1 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-01-24 EP disclosed
US-7160891-B2 Quinazoline derivatives for the treatment of T cell mediated diseases ASTRAZENECA AB (SE) 2007-01-09 US disclosed
US-7157467-B2 Administering compound such as 6-methoxy-4-(2,3-methylenedioxyanilino)-7-(3-morpholinopropoxy)quinazoline for therapy of an autoimmune disease or medical condition selected from transplant rejection and rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-02 US disclosed
US-20060258642-A1 Quinazoline derivatives for the treatment of tumours ASTRAZENECA AB 2006-11-16 US disclosed
US-7049438-B2 Quinazoline derivatives for treatment of tumours ASTRAZENECA AB (SE) 2006-05-23 US disclosed
US-20050038050-A1 Quinazoline derivatives for the treatment of t cell mediated diseases ASTRAZENECA AB (SE) 2005-02-17 US disclosed
US-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 US disclosed
US-20040214841-A1 Quinazoline derivatives for treatment of tumours ASTRAZENECA AB (SE) 2004-10-28 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 (5 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-20060258642-A1 Quinazoline derivatives for the treatment of tumours TPD52L2, NQO2, H1-5 CYP3A4 320/4885CYP2D6 333/4885DPP4 1882/4885
US-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 CYP3A4 2581/4885CYP2D6 1506/4885DPP4 3593/4885
US-20040214841-A1 Quinazoline derivatives for treatment of tumours NQO2, TOP1, TPD52L2 CYP3A4 773/4885CYP2D6 429/4885DPP4 2085/4885
US-20050038050-A1 Quinazoline derivatives for the treatment of t cell mediated diseases CD4, HLA-DRB1, IFNG CYP3A4 776/4885CYP2D6 752/4885DPP4 3920/4885
US-20100280042-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS TPD52L2, NQO2, H1-5 CYP3A4 320/4885CYP2D6 333/4885DPP4 1882/4885

“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.